N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119943770

IUPACN-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-14-6-8-15(9-7-14)12-19(3)16(20)17(2)10-5-11-18-13-17;/h6-9,18H,4-5,10-13H2,1-3H3;1H
InChIKeyGVLLFZJZSWBYON-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride

N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119943770) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
PubChem CID119943770
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-14-6-8-15(9-7-14)12-19(3)16(20)17(2)10-5-11-18-13-17;/h6-9,18H,4-5,10-13H2,1-3H3;1H
InChIKeyGVLLFZJZSWBYON-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119944199
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 63131473
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride (CID 119943770) is N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is CCc1ccc(CN(C)C(=O)C2(C)CCCNC2)cc1.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is GVLLFZJZSWBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-14-6-8-15(9-7-14)12-19(3)16(20)17(2)10-5-11-18-13-17;/h6-9,18H,4-5,10-13H2,1-3H3;1H.
What are the key properties of N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride?
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119943770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).