2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C19H29N3O2 — CID 54815489

IUPAC2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-11-20-14-18(23)21-17-7-5-16(6-8-17)19(24)22-12-9-15(2)10-13-22/h5-8,15,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyXJCXDKORJQJGGD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.89
Rot. Bonds7

About 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54815489) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54815489
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-11-20-14-18(23)21-17-7-5-16(6-8-17)19(24)22-12-9-15(2)10-13-22/h5-8,15,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyXJCXDKORJQJGGD-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54815489) is 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CCCCNCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XJCXDKORJQJGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-11-20-14-18(23)21-17-7-5-16(6-8-17)19(24)22-12-9-15(2)10-13-22/h5-8,15,20H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54815489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).