2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

C21H33N3O2 — CID 54814730

IUPAC2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCCNCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-7-14-22-17-20(25)23-19-12-10-18(11-13-19)21(26)24-15-8-6-9-16-24/h10-13,22H,2-9,14-17H2,1H3,(H,23,25)
InChIKeyNMHXEYZLLANFDW-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.81
Rot. Bonds10

About 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54814730) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54814730
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCCCCCCCNCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H33N3O2/c1-2-3-4-5-7-14-22-17-20(25)23-19-12-10-18(11-13-19)21(26)24-15-8-6-9-16-24/h10-13,22H,2-9,14-17H2,1H3,(H,23,25)
InChIKeyNMHXEYZLLANFDW-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.81
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-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide
CID 17196671
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (CID 54814730) is 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is CCCCCCCNCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is NMHXEYZLLANFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-3-4-5-7-14-22-17-20(25)23-19-12-10-18(11-13-19)21(26)24-15-8-6-9-16-24/h10-13,22H,2-9,14-17H2,1H3,(H,23,25).
What are the key properties of 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54814730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).