N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide

C23H37N3O — CID 167018688

IUPACN-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCCC1CCN(Cc2ccc(CCNC(=O)C3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C23H37N3O/c1-3-19-9-16-26(17-10-19)18-21-6-4-20(5-7-21)8-13-24-23(27)22-11-14-25(2)15-12-22/h4-7,19,22H,3,8-18H2,1-2H3,(H,24,27)
InChIKeyFSXVPSLCNJKTPW-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.31
Rot. Bonds7

About N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide

N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 167018688) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID167018688
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide
SMILESCCC1CCN(Cc2ccc(CCNC(=O)C3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C23H37N3O/c1-3-19-9-16-26(17-10-19)18-21-6-4-20(5-7-21)8-13-24-23(27)22-11-14-25(2)15-12-22/h4-7,19,22H,3,8-18H2,1-2H3,(H,24,27)
InChIKeyFSXVPSLCNJKTPW-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830
1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 1080752
4-ethyl-N-[2-(4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 100642135
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
CID 166791824
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide (CID 167018688) is N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide is CCC1CCN(Cc2ccc(CCNC(=O)C3CCN(C)CC3)cc2)CC1.
What is the InChIKey of N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is FSXVPSLCNJKTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-3-19-9-16-26(17-10-19)18-21-6-4-20(5-7-21)8-13-24-23(27)22-11-14-25(2)15-12-22/h4-7,19,22H,3,8-18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide?
N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 371.57 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 167018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).