N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide

C21H32N2O2 — CID 110026356

IUPACN-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)Nc2ccccc2CN2CCC(O)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-15-11-16(2)13-18(12-15)21(25)22-20-6-4-3-5-17(20)14-23-9-7-19(24)8-10-23/h3-6,15-16,18-19,24H,7-14H2,1-2H3,(H,22,25)
InChIKeyNBNAFUMHSVYXFF-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.65
Rot. Bonds4

About N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide

N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide (PubChem CID 110026356) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
PubChem CID110026356
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)CC(C(=O)Nc2ccccc2CN2CCC(O)CC2)C1
InChIInChI=1S/C21H32N2O2/c1-15-11-16(2)13-18(12-15)21(25)22-20-6-4-3-5-17(20)14-23-9-7-19(24)8-10-23/h3-6,15-16,18-19,24H,7-14H2,1-2H3,(H,22,25)
InChIKeyNBNAFUMHSVYXFF-UHFFFAOYSA-N
XLogP3.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
2-(2,5-difluorophenyl)-N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 71905638
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75497361
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide (CID 110026356) is N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide is CC1CC(C)CC(C(=O)Nc2ccccc2CN2CCC(O)CC2)C1.
What is the InChIKey of N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide?
The InChIKey is NBNAFUMHSVYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15-11-16(2)13-18(12-15)21(25)22-20-6-4-3-5-17(20)14-23-9-7-19(24)8-10-23/h3-6,15-16,18-19,24H,7-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide?
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 110026356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).