1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one

C18H25N3O2 — CID 119945615

IUPAC1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESNc1ccccc1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H25N3O2/c19-16-6-2-1-5-15(16)18(23)20-11-8-14(9-12-20)13-21-10-4-3-7-17(21)22/h1-2,5-6,14H,3-4,7-13,19H2
InChIKeyISKGMTUUKOSICV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds3

About 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 119945615) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID119945615
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESNc1ccccc1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H25N3O2/c19-16-6-2-1-5-15(16)18(23)20-11-8-14(9-12-20)13-21-10-4-3-7-17(21)22/h1-2,5-6,14H,3-4,7-13,19H2
InChIKeyISKGMTUUKOSICV-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

(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794174
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
(2-aminophenyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947355
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one (CID 119945615) is 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one is Nc1ccccc1C(=O)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is ISKGMTUUKOSICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-16-6-2-1-5-15(16)18(23)20-11-8-14(9-12-20)13-21-10-4-3-7-17(21)22/h1-2,5-6,14H,3-4,7-13,19H2.
What are the key properties of 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one 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 1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 119945615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).