(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone

C17H23N3O2 — CID 119380930

IUPAC(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
SMILESNC1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H23N3O2/c18-14-8-4-10-19(12-14)17(22)15-9-5-11-20(15)16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18H2
InChIKeyZDDWOGRWXBGFIK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.24
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone

(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone (PubChem CID 119380930) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
PubChem CID119380930
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
SMILESNC1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2)C1
InChIInChI=1S/C17H23N3O2/c18-14-8-4-10-19(12-14)17(22)15-9-5-11-20(15)16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18H2
InChIKeyZDDWOGRWXBGFIK-UHFFFAOYSA-N
XLogP1.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
CID 124627096
[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
CID 124627095
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
CID 136547093
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone (CID 119380930) is (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone is NC1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone?
The InChIKey is ZDDWOGRWXBGFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-14-8-4-10-19(12-14)17(22)15-9-5-11-20(15)16(21)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12,18H2.
What are the key properties of (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone?
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 119380930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).