N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

C16H23ClFN3O2 — CID 119481326

IUPACN-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1F.Cl
InChIInChI=1S/C16H22FN3O2.ClH/c1-11-9-12(4-5-14(11)17)16(22)20-8-2-3-13(10-20)15(21)19-7-6-18;/h4-5,9,13H,2-3,6-8,10,18H2,1H3,(H,19,21);1H
InChIKeyJOKCNWXOSCMDCB-UHFFFAOYSA-N
MW343.83 g/mol
LogP1.48
Rot. Bonds4

About N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119481326) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119481326
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC NameN-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1F.Cl
InChIInChI=1S/C16H22FN3O2.ClH/c1-11-9-12(4-5-14(11)17)16(22)20-8-2-3-13(10-20)15(21)19-7-6-18;/h4-5,9,13H,2-3,6-8,10,18H2,1H3,(H,19,21);1H
InChIKeyJOKCNWXOSCMDCB-UHFFFAOYSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
N-(2-aminoethyl)-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481003
N-(2-aminoethyl)-1-(4-amino-3-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482085
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479842

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119481326) is N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is Cc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)ccc1F.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JOKCNWXOSCMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.ClH/c1-11-9-12(4-5-14(11)17)16(22)20-8-2-3-13(10-20)15(21)19-7-6-18;/h4-5,9,13H,2-3,6-8,10,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 1.48, 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-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).