N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide

C15H22ClN3O — CID 80552313

IUPACN-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
SMILESCCNCC1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-17-11-12-7-9-19(10-8-12)15(20)18-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyZJGVJRKDJOLAOA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.19
Rot. Bonds4

About N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide

N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide (PubChem CID 80552313) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
PubChem CID80552313
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
SMILESCCNCC1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-17-11-12-7-9-19(10-8-12)15(20)18-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyZJGVJRKDJOLAOA-UHFFFAOYSA-N
XLogP3.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide
CID 69082258
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(3-chloro-2-methylsulfanylphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71991884
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide (CID 80552313) is N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide is CCNCC1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide?
The InChIKey is ZJGVJRKDJOLAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-17-11-12-7-9-19(10-8-12)15(20)18-14-6-4-3-5-13(14)16/h3-6,12,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide is sourced from PubChem (CID 80552313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).