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

C18H27ClN2O2 — CID 17153129

IUPAC1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-14(2)23-12-4-9-20-18(22)15-7-10-21(11-8-15)17-6-3-5-16(19)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,20,22)
InChIKeyIIFYKNUARFASGF-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.49
Rot. Bonds7

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

1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 17153129) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID17153129
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-14(2)23-12-4-9-20-18(22)15-7-10-21(11-8-15)17-6-3-5-16(19)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,20,22)
InChIKeyIIFYKNUARFASGF-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.49
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-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
1-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 26861360
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 53070807
1-[3-(2-chlorophenyl)sulfanylpropyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56510035
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-(4-methoxybenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 94180810
1-[1-(4-fluorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 60503970

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 17153129) is 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is IIFYKNUARFASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-14(2)23-12-4-9-20-18(22)15-7-10-21(11-8-15)17-6-3-5-16(19)13-17/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 338.88 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 17153129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).