2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C18H25N3O2 — CID 119735039

IUPAC2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1cccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c19-16-5-3-4-15(13-16)18(23)21-10-6-14(7-11-21)12-17(22)20-8-1-2-9-20/h3-5,13-14H,1-2,6-12,19H2
InChIKeyJCXQPRFHUCYWIP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds3

About 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 119735039) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID119735039
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1cccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c19-16-5-3-4-15(13-16)18(23)21-10-6-14(7-11-21)12-17(22)20-8-1-2-9-20/h3-5,13-14H,1-2,6-12,19H2
InChIKeyJCXQPRFHUCYWIP-UHFFFAOYSA-N
XLogP2.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(3-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119765253
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(3-aminophenyl)-(3-ethylsulfanylazepan-1-yl)methanone;hydrochloride
CID 119783621
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 119735039) is 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is Nc1cccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JCXQPRFHUCYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-16-5-3-4-15(13-16)18(23)21-10-6-14(7-11-21)12-17(22)20-8-1-2-9-20/h3-5,13-14H,1-2,6-12,19H2.
What are the key properties of 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 315.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 119735039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).