N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride

C20H31ClN2O2 — CID 119306626

IUPACN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1CCCC(OCc2cccc(NC(=O)C3CCCNC3)c2)C1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-5-2-9-19(11-15)24-14-16-6-3-8-18(12-16)22-20(23)17-7-4-10-21-13-17;/h3,6,8,12,15,17,19,21H,2,4-5,7,9-11,13-14H2,1H3,(H,22,23);1H
InChIKeyPTDATJHZIOVHNQ-UHFFFAOYSA-N
MW366.93 g/mol
LogP4.14
Rot. Bonds5

About N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119306626) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119306626
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC NameN-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1CCCC(OCc2cccc(NC(=O)C3CCCNC3)c2)C1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-5-2-9-19(11-15)24-14-16-6-3-8-18(12-16)22-20(23)17-7-4-10-21-13-17;/h3,6,8,12,15,17,19,21H,2,4-5,7,9-11,13-14H2,1H3,(H,22,23);1H
InChIKeyPTDATJHZIOVHNQ-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279
(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120928365
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride (CID 119306626) is N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride is CC1CCCC(OCc2cccc(NC(=O)C3CCCNC3)c2)C1.Cl.
What is the InChIKey of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PTDATJHZIOVHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15-5-2-9-19(11-15)24-14-16-6-3-8-18(12-16)22-20(23)17-7-4-10-21-13-17;/h3,6,8,12,15,17,19,21H,2,4-5,7,9-11,13-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119306626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).