N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride

C16H24ClN3O3 — CID 119278671

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-4-2-3-13(11-14)16(21)19-10-9-18-15(20)12-5-7-17-8-6-12;/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)(H,19,21);1H
InChIKeySQPHGWXDJGEDCR-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.96
Rot. Bonds6

About N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride

N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119278671) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119278671
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14-4-2-3-13(11-14)16(21)19-10-9-18-15(20)12-5-7-17-8-6-12;/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)(H,19,21);1H
InChIKeySQPHGWXDJGEDCR-UHFFFAOYSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[2-[(3-methoxybenzoyl)amino]ethyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 136577622
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119278671) is N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride is COc1cccc(C(=O)NCCNC(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is SQPHGWXDJGEDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-22-14-4-2-3-13(11-14)16(21)19-10-9-18-15(20)12-5-7-17-8-6-12;/h2-4,11-12,17H,5-10H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119278671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).