(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

C16H22N2O — CID 23282646

IUPAC(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-10-4-5-11-17)15-9-6-12-18(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyNHHBXBWPDNUGHX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds3

About (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 23282646) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID23282646
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-10-4-5-11-17)15-9-6-12-18(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKeyNHHBXBWPDNUGHX-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(1-benzylpyrrolidin-2-yl)methanone
CID 56873934
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone (CID 23282646) is (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is O=C(C1CCCN1Cc1ccccc1)N1CCCC1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NHHBXBWPDNUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-10-4-5-11-17)15-9-6-12-18(15)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2.
What are the key properties of (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone?
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 23282646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).