1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide

C25H45N3O3 — CID 123789006

IUPAC1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)N1CCCCC1C(=O)NC(C(=O)N(C)/C(=C/C(C)C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C25H45N3O3/c1-10-19(7)28-14-12-11-13-21(28)24(30)26-23(17(4)5)25(31)27(9)22(16(2)3)15-18(6)20(8)29/h15-19,21,23H,10-14H2,1-9H3,(H,26,30)/b22-15+
InChIKeyAUKPTDCTBFAMQF-PXLXIMEGSA-N
MW435.65 g/mol
LogP4.00
Rot. Bonds10

About 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide

1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide (PubChem CID 123789006) has the molecular formula C25H45N3O3 and a molecular weight of 435.65 g/mol. Its IUPAC name is 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide
PubChem CID123789006
Molecular FormulaC25H45N3O3
Molecular Weight435.65 g/mol
Exact Mass435.35
IUPAC Name1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)N1CCCCC1C(=O)NC(C(=O)N(C)/C(=C/C(C)C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C25H45N3O3/c1-10-19(7)28-14-12-11-13-21(28)24(30)26-23(17(4)5)25(31)27(9)22(16(2)3)15-18(6)20(8)29/h15-19,21,23H,10-14H2,1-9H3,(H,26,30)/b22-15+
InChIKeyAUKPTDCTBFAMQF-PXLXIMEGSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-(cyclohex-1-en-1-ylamino)-1-(1-ethylpiperidin-4-yl)-2-oxoethyl)-N-(heptadecan-9-yl)palmitamide
CID 169291341
N-[2-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-4-methylpent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 88892554
N-[1-[[(E)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 21032179
(6E,10E)-N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 21298051
(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 24755409
N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 54348362
(2R)-N-[(2S)-1-[[(E,3S)-6-(ethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675291
(2R)-N-[(2S)-1-[[(E,3S)-6-(hexylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675328
(2R)-N-[(2S)-1-[[(E,3S)-6-(dimethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675354
(2R)-N-[(2S)-1-[[(E,3S)-6-(diethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675357
(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-(propan-2-ylamino)hex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 57675420
N-[(2S)-1-[[(E,3S)-5-hydroxy-2-methylhex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1,3-dimethylpiperidine-2-carboxamide
CID 57838328

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide (CID 123789006) is 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide is CCC(C)N1CCCCC1C(=O)NC(C(=O)N(C)/C(=C/C(C)C(C)=O)C(C)C)C(C)C.
What is the InChIKey of 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide?
The InChIKey is AUKPTDCTBFAMQF-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H45N3O3/c1-10-19(7)28-14-12-11-13-21(28)24(30)26-23(17(4)5)25(31)27(9)22(16(2)3)15-18(6)20(8)29/h15-19,21,23H,10-14H2,1-9H3,(H,26,30)/b22-15+.
What are the key properties of 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide?
1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide has a molecular weight of 435.65 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[1-[[(E)-2,5-dimethyl-6-oxohept-3-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 123789006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).