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

C21H31N3O3 — CID 120625325

IUPACN-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C21H31N3O3/c1-27-15-21(11-13-22-14-12-21)20(26)24-18-9-7-16(8-10-18)19(25)23-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyOCGUZHWPZNFYCR-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.70
Rot. Bonds6

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

N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120625325) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120625325
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C21H31N3O3/c1-27-15-21(11-13-22-14-12-21)20(26)24-18-9-7-16(8-10-18)19(25)23-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyOCGUZHWPZNFYCR-UHFFFAOYSA-N
XLogP2.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120629418
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120622725
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-acetamido-N-cyclooctylbenzamide
CID 2990044

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120625325) is N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCNCC1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is OCGUZHWPZNFYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-15-21(11-13-22-14-12-21)20(26)24-18-9-7-16(8-10-18)19(25)23-17-5-3-2-4-6-17/h7-10,17,22H,2-6,11-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120625325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).