N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

C21H31N3O4 — CID 50829294

IUPACN-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C(C)C)c2)C1
InChIInChI=1S/C21H31N3O4/c1-15(2)19(25)23-18-9-4-7-16(13-18)21(27)24-11-5-8-17(14-24)20(26)22-10-6-12-28-3/h4,7,9,13,15,17H,5-6,8,10-12,14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHZDJNWGPSKWFQR-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.29
Rot. Bonds8

About N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide

N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 50829294) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID50829294
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C(C)C)c2)C1
InChIInChI=1S/C21H31N3O4/c1-15(2)19(25)23-18-9-4-7-16(13-18)21(27)24-11-5-8-17(14-24)20(26)22-10-6-12-28-3/h4,7,9,13,15,17H,5-6,8,10-12,14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHZDJNWGPSKWFQR-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-[3-[4-(2-methoxyethoxy)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
CID 131949645
(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 50829294) is N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C(C)C)c2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is HZDJNWGPSKWFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-15(2)19(25)23-18-9-4-7-16(13-18)21(27)24-11-5-8-17(14-24)20(26)22-10-6-12-28-3/h4,7,9,13,15,17H,5-6,8,10-12,14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide?
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).