N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride

C16H22ClF2N3O3 — CID 119479842

IUPACN-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C16H21F2N3O3.ClH/c17-16(18)24-13-5-1-3-11(9-13)15(23)21-8-2-4-12(10-21)14(22)20-7-6-19;/h1,3,5,9,12,16H,2,4,6-8,10,19H2,(H,20,22);1H
InChIKeyWQBOIAWRZWTODY-UHFFFAOYSA-N
MW377.82 g/mol
LogP1.64
Rot. Bonds6

About N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119479842) has the molecular formula C16H22ClF2N3O3 and a molecular weight of 377.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119479842
Molecular FormulaC16H22ClF2N3O3
Molecular Weight377.82 g/mol
Exact Mass377.13
IUPAC NameN-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C16H21F2N3O3.ClH/c17-16(18)24-13-5-1-3-11(9-13)15(23)21-8-2-4-12(10-21)14(22)20-7-6-19;/h1,3,5,9,12,16H,2,4,6-8,10,19H2,(H,20,22);1H
InChIKeyWQBOIAWRZWTODY-UHFFFAOYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(3-pyrazin-2-yloxybenzoyl)piperidine-3-carboxamide
CID 119480783
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
N-(2-aminoethyl)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481760
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119482001

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride (CID 119479842) is N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)c2cccc(OC(F)F)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is WQBOIAWRZWTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3.ClH/c17-16(18)24-13-5-1-3-11(9-13)15(23)21-8-2-4-12(10-21)14(22)20-7-6-19;/h1,3,5,9,12,16H,2,4,6-8,10,19H2,(H,20,22);1H.
What are the key properties of N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 377.82 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).