[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H27N3O2 — CID 119944801

IUPAC[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccccc3N)CC2)CC1
InChIInChI=1S/C19H27N3O2/c1-14-6-10-21(11-7-14)18(23)15-8-12-22(13-9-15)19(24)16-4-2-3-5-17(16)20/h2-5,14-15H,6-13,20H2,1H3
InChIKeyGUGVBCJVOVXXMQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.38
Rot. Bonds2

About [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 119944801) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID119944801
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccccc3N)CC2)CC1
InChIInChI=1S/C19H27N3O2/c1-14-6-10-21(11-7-14)18(23)15-8-12-22(13-9-15)19(24)16-4-2-3-5-17(16)20/h2-5,14-15H,6-13,20H2,1H3
InChIKeyGUGVBCJVOVXXMQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.38
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

1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
CID 55949816
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 119944801) is [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(C(=O)c3ccccc3N)CC2)CC1.
What is the InChIKey of [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GUGVBCJVOVXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-6-10-21(11-7-14)18(23)15-8-12-22(13-9-15)19(24)16-4-2-3-5-17(16)20/h2-5,14-15H,6-13,20H2,1H3.
What are the key properties of [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 119944801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).