N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide

C26H34ClN3O2 — CID 143182239

IUPACN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31)
InChIKeyKRAFRFVAELAXHO-UHFFFAOYSA-N
MW456.03 g/mol
LogP5.91
Rot. Bonds5

About N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide

N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 143182239) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID143182239
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC NameN-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31)
InChIKeyKRAFRFVAELAXHO-UHFFFAOYSA-N
XLogP5.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.03
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078438
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 131960443
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
4-(4-chlorophenyl)-N-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethoxy)phenyl]piperidin-1-ium-1-carboxamide
CID 163606401
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
4-[4-[(2-cyclohexylacetyl)amino]phenyl]-N-(2,6-dichlorophenyl)piperidine-1-carboxamide
CID 58258445
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557

Frequently Asked Questions

What is the IUPAC name of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide (CID 143182239) is N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(OCC2CCCCNCC2)cc1)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is KRAFRFVAELAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c27-23-6-4-21(5-7-23)22-13-17-30(18-14-22)26(31)29-24-8-10-25(11-9-24)32-19-20-3-1-2-15-28-16-12-20/h4-11,20,22,28H,1-3,12-19H2,(H,29,31).
What are the key properties of N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide?
N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 456.03 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 143182239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).