1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide

C23H34N2O3 — CID 39950504

IUPAC1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C23H34N2O3/c1-19(26)25-16-13-23(14-17-25,20-9-4-2-5-10-20)22(27)24-15-8-18-28-21-11-6-3-7-12-21/h2,4-5,9-10,21H,3,6-8,11-18H2,1H3,(H,24,27)
InChIKeyROJYVDYZISJBOP-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.42
Rot. Bonds7

About 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide

1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 39950504) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
PubChem CID39950504
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C23H34N2O3/c1-19(26)25-16-13-23(14-17-25,20-9-4-2-5-10-20)22(27)24-15-8-18-28-21-11-6-3-7-12-21/h2,4-5,9-10,21H,3,6-8,11-18H2,1H3,(H,24,27)
InChIKeyROJYVDYZISJBOP-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78840882
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
CID 128987745
1-ethylsulfonyl-N-(3-phenoxypropyl)-4-phenylpiperidine-4-carboxamide
CID 78819852
1-acetyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 55385035
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide (CID 39950504) is 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCCOC2CCCCC2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is ROJYVDYZISJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-19(26)25-16-13-23(14-17-25,20-9-4-2-5-10-20)22(27)24-15-8-18-28-21-11-6-3-7-12-21/h2,4-5,9-10,21H,3,6-8,11-18H2,1H3,(H,24,27).
What are the key properties of 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 39950504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).