1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C18H28N2O2 — CID 17152501

IUPAC1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(2)22-14-6-11-19-18(21)16-9-12-20(13-10-16)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,19,21)
InChIKeyPMZBOSAGNUIYAC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.83
Rot. Bonds7

About 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 17152501) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID17152501
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-15(2)22-14-6-11-19-18(21)16-9-12-20(13-10-16)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,19,21)
InChIKeyPMZBOSAGNUIYAC-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.83
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

1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509650
1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 126235408
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 17152501) is 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is PMZBOSAGNUIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)22-14-6-11-19-18(21)16-9-12-20(13-10-16)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,19,21).
What are the key properties of 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).