N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C25H36N6O2S — CID 22513416

IUPACN-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)N(CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)Cc1ccccc1
InChIInChI=1S/C25H36N6O2S/c1-19(2)30(18-20-8-4-3-5-9-20)14-7-13-26-23(33)21-11-16-29(17-12-21)24-27-28-25(34-24)31-15-6-10-22(31)32/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,26,33)
InChIKeyFOLPZDKWLCKCFE-UHFFFAOYSA-N
MW484.67 g/mol
LogP3.30
Rot. Bonds10

About N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 22513416) has the molecular formula C25H36N6O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID22513416
Molecular FormulaC25H36N6O2S
Molecular Weight484.67 g/mol
Exact Mass484.26
IUPAC NameN-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)N(CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)Cc1ccccc1
InChIInChI=1S/C25H36N6O2S/c1-19(2)30(18-20-8-4-3-5-9-20)14-7-13-26-23(33)21-11-16-29(17-12-21)24-27-28-25(34-24)31-15-6-10-22(31)32/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,26,33)
InChIKeyFOLPZDKWLCKCFE-UHFFFAOYSA-N
XLogP3.30
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22513389
N-[3-[benzyl(ethyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 20958153
N-[3-(diethylamino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513379
N-butyl-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958204
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513414
N-[3-(N-ethyl-3-methylanilino)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513407
(3S)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92678856
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958377
N-[3-(2-methylpiperidin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 126459192
N-(3-morpholin-4-ylpropyl)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958330
N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 20958320
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20889478

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 22513416) is N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)N(CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is FOLPZDKWLCKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2S/c1-19(2)30(18-20-8-4-3-5-9-20)14-7-13-26-23(33)21-11-16-29(17-12-21)24-27-28-25(34-24)31-15-6-10-22(31)32/h3-5,8-9,19,21H,6-7,10-18H2,1-2H3,(H,26,33).
What are the key properties of N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 484.67 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(propan-2-yl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22513416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).