N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide

C17H25N3O2 — CID 119480898

IUPACN-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-12-5-6-15(13(2)10-12)17(22)20-9-3-4-14(11-20)16(21)19-8-7-18/h5-6,10,14H,3-4,7-9,11,18H2,1-2H3,(H,19,21)
InChIKeyNCTCYGJYFPNLSE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.23
Rot. Bonds4

About N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 119480898) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID119480898
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-12-5-6-15(13(2)10-12)17(22)20-9-3-4-14(11-20)16(21)19-8-7-18/h5-6,10,14H,3-4,7-9,11,18H2,1-2H3,(H,19,21)
InChIKeyNCTCYGJYFPNLSE-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(5-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119480572
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(2-methyl-5-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119479704
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(5-fluoro-3-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119482021
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119481286
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide (CID 119480898) is N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCCN)C2)c(C)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is NCTCYGJYFPNLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-5-6-15(13(2)10-12)17(22)20-9-3-4-14(11-20)16(21)19-8-7-18/h5-6,10,14H,3-4,7-9,11,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).