(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C24H32N4O2 — CID 96571690

IUPAC(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C24H32N4O2/c29-23(26-14-10-19-6-2-1-3-7-19)20-8-5-15-28(18-20)21-11-16-27(17-12-21)24(30)22-9-4-13-25-22/h1-4,6-7,9,13,20-21,25H,5,8,10-12,14-18H2,(H,26,29)/t20-/m0/s1
InChIKeyCGTLHOPBFVSSKO-FQEVSTJZSA-N
MW408.55 g/mol
LogP2.69
Rot. Bonds6

About (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96571690) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96571690
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C24H32N4O2/c29-23(26-14-10-19-6-2-1-3-7-19)20-8-5-15-28(18-20)21-11-16-27(17-12-21)24(30)22-9-4-13-25-22/h1-4,6-7,9,13,20-21,25H,5,8,10-12,14-18H2,(H,26,29)/t20-/m0/s1
InChIKeyCGTLHOPBFVSSKO-FQEVSTJZSA-N
XLogP2.69
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868672
(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548945
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
(3S)-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 42394363
1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45242607
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96571690) is (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1.
What is the InChIKey of (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is CGTLHOPBFVSSKO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-23(26-14-10-19-6-2-1-3-7-19)20-8-5-15-28(18-20)21-11-16-27(17-12-21)24(30)22-9-4-13-25-22/h1-4,6-7,9,13,20-21,25H,5,8,10-12,14-18H2,(H,26,29)/t20-/m0/s1.
What are the key properties of (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96571690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).