1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide

C17H25N3O2 — CID 120619834

IUPAC1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-8-19-16(21)13-6-9-20(10-7-13)17(22)15-11-14(18)5-4-12(15)2/h4-5,11,13H,3,6-10,18H2,1-2H3,(H,19,21)
InChIKeyGGQFBTCZIZQOKS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds4

About 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide

1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide (PubChem CID 120619834) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
PubChem CID120619834
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-8-19-16(21)13-6-9-20(10-7-13)17(22)15-11-14(18)5-4-12(15)2/h4-5,11,13H,3,6-10,18H2,1-2H3,(H,19,21)
InChIKeyGGQFBTCZIZQOKS-UHFFFAOYSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
1-(5-amino-2-methylbenzoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 120633299
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide (CID 120619834) is 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is GGQFBTCZIZQOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-8-19-16(21)13-6-9-20(10-7-13)17(22)15-11-14(18)5-4-12(15)2/h4-5,11,13H,3,6-10,18H2,1-2H3,(H,19,21).
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide?
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 120619834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).