N-(4-butoxyphenyl)piperidine-1-carboxamide

C16H24N2O2 — CID 3042761

IUPACN-(4-butoxyphenyl)piperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-13-20-15-9-7-14(8-10-15)17-16(19)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyMSGLJFSFEIQROU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.88
Rot. Bonds5

About N-(4-butoxyphenyl)piperidine-1-carboxamide

N-(4-butoxyphenyl)piperidine-1-carboxamide (PubChem CID 3042761) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-butoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)piperidine-1-carboxamide
PubChem CID3042761
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-butoxyphenyl)piperidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-3-13-20-15-9-7-14(8-10-15)17-16(19)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyMSGLJFSFEIQROU-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55820039
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
propyl 4-(piperidine-1-carbonylamino)benzoate
CID 79156721
2-(azepan-1-yl)-N-(4-heptoxyphenyl)acetamide
CID 54814498
[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
N-(4-butoxyphenyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561886

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)piperidine-1-carboxamide (CID 3042761) is N-(4-butoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)piperidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)piperidine-1-carboxamide?
The InChIKey is MSGLJFSFEIQROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-13-20-15-9-7-14(8-10-15)17-16(19)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,17,19).
What are the key properties of N-(4-butoxyphenyl)piperidine-1-carboxamide?
N-(4-butoxyphenyl)piperidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3042761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).