1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

C19H29N3O3 — CID 120622057

IUPAC1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-12-4-9-21-18(23)15-7-10-22(11-8-15)19(24)17-13-16(20)6-5-14(17)2/h5-6,13,15H,3-4,7-12,20H2,1-2H3,(H,21,23)
InChIKeyDMTLOUTXXMAAKX-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.97
Rot. Bonds7

About 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide

1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (PubChem CID 120622057) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
PubChem CID120622057
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C19H29N3O3/c1-3-25-12-4-9-21-18(23)15-7-10-22(11-8-15)19(24)17-13-16(20)6-5-14(17)2/h5-6,13,15H,3-4,7-12,20H2,1-2H3,(H,21,23)
InChIKeyDMTLOUTXXMAAKX-UHFFFAOYSA-N
XLogP1.97
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86994763
N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 78871300
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78900547
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871291

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide (CID 120622057) is 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(C(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
The InChIKey is DMTLOUTXXMAAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-25-12-4-9-21-18(23)15-7-10-22(11-8-15)19(24)17-13-16(20)6-5-14(17)2/h5-6,13,15H,3-4,7-12,20H2,1-2H3,(H,21,23).
What are the key properties of 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide?
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 120622057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).