N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119317016

IUPACN-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1OCCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-6-2-3-8-15(13)20-11-5-10-18-16(19)14-7-4-9-17-12-14;/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3,(H,18,19);1H
InChIKeyGTZVMKYVGYZHKE-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds6

About N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride

N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119317016) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119317016
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1OCCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-6-2-3-8-15(13)20-11-5-10-18-16(19)14-7-4-9-17-12-14;/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3,(H,18,19);1H
InChIKeyGTZVMKYVGYZHKE-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[3-[(2-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 154901383
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119742923
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119864927
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 106310691
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride (CID 119317016) is N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride is Cc1ccccc1OCCCNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is GTZVMKYVGYZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13-6-2-3-8-15(13)20-11-5-10-18-16(19)14-7-4-9-17-12-14;/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119317016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).