N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 119298309

IUPACN-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-19(16(20)13-6-8-18-9-7-13)10-3-11-21-15-5-2-4-14(17)12-15;/h2,4-5,12-13,18H,3,6-11H2,1H3;1H
InChIKeyPWECCVPETHLRKY-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.99
Rot. Bonds6

About N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride

N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119298309) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119298309
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCN(CCCOc1cccc(Cl)c1)C(=O)C1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-19(16(20)13-6-8-18-9-7-13)10-3-11-21-15-5-2-4-14(17)12-15;/h2,4-5,12-13,18H,3,6-11H2,1H3;1H
InChIKeyPWECCVPETHLRKY-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
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-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[3-(3-chlorophenoxy)propyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
CID 160532663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3-chlorophenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119739734
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119739747
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
(1R,3R,4S)-N-[2-(3-chlorophenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide
CID 135097680
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119298309) is N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride is CN(CCCOc1cccc(Cl)c1)C(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is PWECCVPETHLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-19(16(20)13-6-8-18-9-7-13)10-3-11-21-15-5-2-4-14(17)12-15;/h2,4-5,12-13,18H,3,6-11H2,1H3;1H.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119298309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).