N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

C24H36N4O2 — CID 96582167

IUPACN-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC1=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H36N4O2/c29-23(26-22-8-13-25-24(22)30)20-9-17-28(18-10-20)21-11-15-27(16-12-21)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,25,30)(H,26,29)/t22-/m1/s1
InChIKeyAWQRSAZZSUJWBG-JOCHJYFZSA-N
MW412.58 g/mol
LogP1.80
Rot. Bonds7

About N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 96582167) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID96582167
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCNC1=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H36N4O2/c29-23(26-22-8-13-25-24(22)30)20-9-17-28(18-10-20)21-11-15-27(16-12-21)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,25,30)(H,26,29)/t22-/m1/s1
InChIKeyAWQRSAZZSUJWBG-JOCHJYFZSA-N
XLogP1.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
oxalic acid;1-(4-phenylcyclohexyl)-4-(3-phenylpropyl)piperazine
CID 90483695
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (CID 96582167) is N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(N[C@@H]1CCNC1=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.
What is the InChIKey of N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is AWQRSAZZSUJWBG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H36N4O2/c29-23(26-22-8-13-25-24(22)30)20-9-17-28(18-10-20)21-11-15-27(16-12-21)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,25,30)(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 96582167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).