(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone

C17H24N2O — CID 60940057

IUPAC(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyLWMJSVSLWLQZDY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.22
Rot. Bonds3

About (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone

(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone (PubChem CID 60940057) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
PubChem CID60940057
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyLWMJSVSLWLQZDY-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone (CID 60940057) is (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCCC1Cc1ccccc1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
The InChIKey is LWMJSVSLWLQZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-8-4-10-18-13-15)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2.
What are the key properties of (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone?
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 60940057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).