N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

C34H60N6O4 — CID 21032327

IUPACN-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCC(C)C(CN1CCCC1C(=O)N1CCCC1C(=O)N1CCCCC1)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C
InChIInChI=1S/C34H60N6O4/c1-24(2)28(37(7)33(44)29(34(3,4)5)35-30(41)25-15-9-12-18-36(25)6)23-39-21-13-16-26(39)32(43)40-22-14-17-27(40)31(42)38-19-10-8-11-20-38/h24-29H,8-23H2,1-7H3,(H,35,41)
InChIKeyAVGCHQHITKREHR-UHFFFAOYSA-N
MW616.89 g/mol
LogP2.95
Rot. Bonds9

About N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 21032327) has the molecular formula C34H60N6O4 and a molecular weight of 616.89 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID21032327
Molecular FormulaC34H60N6O4
Molecular Weight616.89 g/mol
Exact Mass616.47
IUPAC NameN-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCC(C)C(CN1CCCC1C(=O)N1CCCC1C(=O)N1CCCCC1)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C
InChIInChI=1S/C34H60N6O4/c1-24(2)28(37(7)33(44)29(34(3,4)5)35-30(41)25-15-9-12-18-36(25)6)23-39-21-13-16-26(39)32(43)40-22-14-17-27(40)31(42)38-19-10-8-11-20-38/h24-29H,8-23H2,1-7H3,(H,35,41)
InChIKeyAVGCHQHITKREHR-UHFFFAOYSA-N
XLogP2.95
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide with MolForge

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Related Compounds

Tasidotin
CID 9895066
(1R,2S,5S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156969
H-Pro-Leu-Gly-Pip-NH2
CID 73348400
(1S,4S,7R,10S,13S,16S,19S,22S,25S,28S,31S,34S)-7,25-bis(3-aminopropyl)-10,28-bis(2-methylpropyl)-4,22-di(propan-2-yl)-3,6,9,12,15,21,24,27,30,37-decazapentacyclo[29.5.2.213,16.015,19.034,37]tetracontane-2,5,8,11,14,20,23,26,29,38-decone
CID 155539706
cyclo[Leu-D-Lys-Pro-Val-D-Orn-Leu-D-Lys-Pro-Val-Orn]
CID 155553987
D-N(Me2)Val-D-Val-D-N(Me)Val-Pro-Pro-NHtBu
CID 129628648
(2S,4S)-4-methyl-N-[[3-methyl-1-[(2S,4S)-4-methyl-6-oxopiperidine-2-carbonyl]pyrrolidin-3-yl]methyl]-6-oxopiperidine-2-carboxamide
CID 128526700
Cyclo(prolylvalylprolylvalyl)
CID 14863209
DL-N(Me2)Val-DL-Val-DL-N(Me)Val-DL-Pro-DL-Pro-NHtBu
CID 21912855
pivaloyl-Pro-D-Pro-Val-NHMe
CID 102394153
1-[1-[6-[3-(2-Carbamoylpyrrolidine-1-carbonyl)piperidin-1-yl]hexyl]piperidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 54611058
3,12-Di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
CID 14863208

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (CID 21032327) is N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is CC(C)C(CN1CCCC1C(=O)N1CCCC1C(=O)N1CCCCC1)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is AVGCHQHITKREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N6O4/c1-24(2)28(37(7)33(44)29(34(3,4)5)35-30(41)25-15-9-12-18-36(25)6)23-39-21-13-16-26(39)32(43)40-22-14-17-27(40)31(42)38-19-10-8-11-20-38/h24-29H,8-23H2,1-7H3,(H,35,41).
What are the key properties of N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 616.89 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-[methyl-[3-methyl-1-[2-[2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 21032327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).