1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide

C15H22ClN3O — CID 114849617

IUPAC1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
SMILESCCNCc1ccc(Cl)cc1N1CCCCC1C(N)=O
InChIInChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-12(16)9-14(11)19-8-4-3-5-13(19)15(17)20/h6-7,9,13,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyNFKFXNRVMDYMKB-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.29
Rot. Bonds5

About 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide

1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide (PubChem CID 114849617) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
PubChem CID114849617
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
SMILESCCNCc1ccc(Cl)cc1N1CCCCC1C(N)=O
InChIInChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-12(16)9-14(11)19-8-4-3-5-13(19)15(17)20/h6-7,9,13,18H,2-5,8,10H2,1H3,(H2,17,20)
InChIKeyNFKFXNRVMDYMKB-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-chloro-2-(ethylaminomethyl)phenyl]azepan-2-yl]methanol
CID 114853911
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
N-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-chlorophenyl]methyl]ethanamine
CID 114850329
1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114850627
N-[[4-chloro-2-(2-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847936
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096413
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide (CID 114849617) is 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide is CCNCc1ccc(Cl)cc1N1CCCCC1C(N)=O.
What is the InChIKey of 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is NFKFXNRVMDYMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-18-10-11-6-7-12(16)9-14(11)19-8-4-3-5-13(19)15(17)20/h6-7,9,13,18H,2-5,8,10H2,1H3,(H2,17,20).
What are the key properties of 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide?
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 114849617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).