1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide

C18H26N2O2 — CID 39889707

IUPAC1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-3-4-12-19-17(22)18(16-8-6-5-7-9-16)10-13-20(14-11-18)15(2)21/h5-9H,3-4,10-14H2,1-2H3,(H,19,22)
InChIKeyNTFCLBPWDOTUCJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.48
Rot. Bonds5

About 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide

1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide (PubChem CID 39889707) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
PubChem CID39889707
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O2/c1-3-4-12-19-17(22)18(16-8-6-5-7-9-16)10-13-20(14-11-18)15(2)21/h5-9H,3-4,10-14H2,1-2H3,(H,19,22)
InChIKeyNTFCLBPWDOTUCJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.48
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-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
[2-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977
1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 55385035
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 55879768
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide (CID 39889707) is 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide is CCCCNC(=O)C1(c2ccccc2)CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is NTFCLBPWDOTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-12-19-17(22)18(16-8-6-5-7-9-16)10-13-20(14-11-18)15(2)21/h5-9H,3-4,10-14H2,1-2H3,(H,19,22).
What are the key properties of 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 39889707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).