N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 119944398

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1Cl.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-11(2)21-14-6-5-12(9-13(14)17)19-15(20)16(3)7-4-8-18-10-16;/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20);1H
InChIKeyANQAPRDQOAJHBV-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.88
Rot. Bonds4

About N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride

N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944398) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944398
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1Cl.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-11(2)21-14-6-5-12(9-13(14)17)19-15(20)16(3)7-4-8-18-10-16;/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20);1H
InChIKeyANQAPRDQOAJHBV-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 63122437
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944880
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944398) is N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ANQAPRDQOAJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-11(2)21-14-6-5-12(9-13(14)17)19-15(20)16(3)7-4-8-18-10-16;/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride?
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).