3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119944238

IUPAC3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-7-5-13(6-8-14)18-15(19)16(3)9-4-10-17-11-16;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19);1H
InChIKeyDDDQNIZQBCMFGD-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.22
Rot. Bonds4

About 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride

3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119944238) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119944238
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-7-5-13(6-8-14)18-15(19)16(3)9-4-10-17-11-16;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19);1H
InChIKeyDDDQNIZQBCMFGD-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(3-chloro-4-propan-2-yloxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944398
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779192
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride (CID 119944238) is 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)C2(C)CCCNC2)cc1.Cl.
What is the InChIKey of 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DDDQNIZQBCMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)20-14-7-5-13(6-8-14)18-15(19)16(3)9-4-10-17-11-16;/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19);1H.
What are the key properties of 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride?
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).