2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide

C21H31N3O — CID 95235752

IUPAC2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H31N3O/c25-21(22-18-10-13-23(14-11-18)19-8-9-19)16-24-12-4-7-20(24)15-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,22,25)/t20-/m0/s1
InChIKeyOCRXTLQFTLSVQY-FQEVSTJZSA-N
MW341.50 g/mol
LogP2.44
Rot. Bonds6

About 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide

2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 95235752) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID95235752
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C21H31N3O/c25-21(22-18-10-13-23(14-11-18)19-8-9-19)16-24-12-4-7-20(24)15-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,22,25)/t20-/m0/s1
InChIKeyOCRXTLQFTLSVQY-FQEVSTJZSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95348862
2-(2-benzylpyrrolidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51339357
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 95235752) is 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide is O=C(CN1CCC[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is OCRXTLQFTLSVQY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(22-18-10-13-23(14-11-18)19-8-9-19)16-24-12-4-7-20(24)15-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,22,25)/t20-/m0/s1.
What are the key properties of 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 341.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 95235752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).