(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C20H33N3O2 — CID 95164310

IUPAC(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H33N3O2/c24-19-12-16(14-23(19)18-6-7-18)20(25)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h15-18H,1-14H2,(H,21,25)/t16-/m1/s1
InChIKeyGUIAALBZRJRODC-MRXNPFEDSA-N
MW347.50 g/mol
LogP2.16
Rot. Bonds5

About (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95164310) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95164310
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(CC2CCCCC2)CC1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H33N3O2/c24-19-12-16(14-23(19)18-6-7-18)20(25)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h15-18H,1-14H2,(H,21,25)/t16-/m1/s1
InChIKeyGUIAALBZRJRODC-MRXNPFEDSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
1-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110411749
(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97040965
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 95164310) is (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(CC2CCCCC2)CC1)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GUIAALBZRJRODC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N3O2/c24-19-12-16(14-23(19)18-6-7-18)20(25)21-17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h15-18H,1-14H2,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95164310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).