(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

C21H31N3O — CID 94797745

IUPAC(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21(22-18-9-10-18)20(17-7-3-1-4-8-17)24-15-11-19(12-16-24)23-13-5-2-6-14-23/h1,3-4,7-8,18-20H,2,5-6,9-16H2,(H,22,25)/t20-/m1/s1
InChIKeyJYKWQKKQXGJBLX-HXUWFJFHSA-N
MW341.50 g/mol
LogP2.96
Rot. Bonds5

About (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide

(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 94797745) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
PubChem CID94797745
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
SMILESO=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C21H31N3O/c25-21(22-18-9-10-18)20(17-7-3-1-4-8-17)24-15-11-19(12-16-24)23-13-5-2-6-14-23/h1,3-4,7-8,18-20H,2,5-6,9-16H2,(H,22,25)/t20-/m1/s1
InChIKeyJYKWQKKQXGJBLX-HXUWFJFHSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
(2S)-2-(4-chlorophenyl)-2-(4-cyclohexylpiperazin-1-yl)-N-cyclopentylacetamide
CID 92653700
N-(1-cycloheptylpyrrolidin-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56575838
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide (CID 94797745) is (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is JYKWQKKQXGJBLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(22-18-9-10-18)20(17-7-3-1-4-8-17)24-15-11-19(12-16-24)23-13-5-2-6-14-23/h1,3-4,7-8,18-20H,2,5-6,9-16H2,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide?
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 341.50 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 94797745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).