(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C20H31N5O2 — CID 95552335

IUPAC(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(21-9-14-25-11-2-8-22-25)17-3-1-10-24(15-17)18-6-12-23(13-7-18)20(27)16-4-5-16/h2,8,11,16-18H,1,3-7,9-10,12-15H2,(H,21,26)/t17-/m0/s1
InChIKeyKHYVCLWVRMKXHL-KRWDZBQOSA-N
MW373.50 g/mol
LogP1.11
Rot. Bonds6

About (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 95552335) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID95552335
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(21-9-14-25-11-2-8-22-25)17-3-1-10-24(15-17)18-6-12-23(13-7-18)20(27)16-4-5-16/h2,8,11,16-18H,1,3-7,9-10,12-15H2,(H,21,26)/t17-/m0/s1
InChIKeyKHYVCLWVRMKXHL-KRWDZBQOSA-N
XLogP1.11
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95552903
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95476503
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42395265
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 95552335) is (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1cccn1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is KHYVCLWVRMKXHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(21-9-14-25-11-2-8-22-25)17-3-1-10-24(15-17)18-6-12-23(13-7-18)20(27)16-4-5-16/h2,8,11,16-18H,1,3-7,9-10,12-15H2,(H,21,26)/t17-/m0/s1.
What are the key properties of (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95552335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).