N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119329303

IUPACN-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC2CCOCC2)cc1)C1CCNCC1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(15-5-9-19-10-6-15)20-16-1-3-17(4-2-16)23-13-14-7-11-22-12-8-14;/h1-4,14-15,19H,5-13H2,(H,20,21);1H
InChIKeyMKBKRXCEDPQJOK-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.85
Rot. Bonds5

About N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119329303) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119329303
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC2CCOCC2)cc1)C1CCNCC1
InChIInChI=1S/C18H26N2O3.ClH/c21-18(15-5-9-19-10-6-15)20-16-1-3-17(4-2-16)23-13-14-7-11-22-12-8-14;/h1-4,14-15,19H,5-13H2,(H,20,21);1H
InChIKeyMKBKRXCEDPQJOK-UHFFFAOYSA-N
XLogP2.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360
N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119294944
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-amino-2-(4-methylphenyl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120668645
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119329303) is N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCC2CCOCC2)cc1)C1CCNCC1.
What is the InChIKey of N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is MKBKRXCEDPQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c21-18(15-5-9-19-10-6-15)20-16-1-3-17(4-2-16)23-13-14-7-11-22-12-8-14;/h1-4,14-15,19H,5-13H2,(H,20,21);1H.
What are the key properties of N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119329303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).