1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C20H31FN2O2 — CID 60503970

IUPAC1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN2O2/c1-15(2)25-14-4-11-22-20(24)18-9-12-23(13-10-18)16(3)17-5-7-19(21)8-6-17/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,22,24)
InChIKeyPWRPPFGDHSGGCB-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.53
Rot. Bonds8

About 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 60503970) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID60503970
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(C(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H31FN2O2/c1-15(2)25-14-4-11-22-20(24)18-9-12-23(13-10-18)16(3)17-5-7-19(21)8-6-17/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,22,24)
InChIKeyPWRPPFGDHSGGCB-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.53
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-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86994763
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86993216
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-(piperidine-3-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119287847
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 97313014
1-(4-bromophenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 126235408
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
1-(3-amino-2-methyl-3-phenylpropanoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720641
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 60503970) is 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(C(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is PWRPPFGDHSGGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-15(2)25-14-4-11-22-20(24)18-9-12-23(13-10-18)16(3)17-5-7-19(21)8-6-17/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,22,24).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 60503970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).