N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H32N2O3 — CID 120629418

IUPACN-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C21H32N2O3/c1-25-16-21(11-13-22-14-12-21)20(24)23-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-16H2,1H3,(H,23,24)
InChIKeyROALBHQRHMJLKA-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.60
Rot. Bonds7

About N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120629418) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120629418
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C21H32N2O3/c1-25-16-21(11-13-22-14-12-21)20(24)23-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-16H2,1H3,(H,23,24)
InChIKeyROALBHQRHMJLKA-UHFFFAOYSA-N
XLogP3.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-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

N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119763434
N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625325
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120629418) is N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is ROALBHQRHMJLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-16-21(11-13-22-14-12-21)20(24)23-18-7-9-19(10-8-18)26-15-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-16H2,1H3,(H,23,24).
What are the key properties of N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120629418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).