N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

C19H25ClF3N3O2 — CID 119624595

IUPACN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O2.ClH/c20-19(21,22)15-5-3-14(4-6-15)18(27)24-12-17(26)25-9-7-16(8-10-25)23-11-13-1-2-13;/h3-6,13,16,23H,1-2,7-12H2,(H,24,27);1H
InChIKeyKBOJERKRFMGKRD-UHFFFAOYSA-N
MW419.88 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride

N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119624595) has the molecular formula C19H25ClF3N3O2 and a molecular weight of 419.88 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119624595
Molecular FormulaC19H25ClF3N3O2
Molecular Weight419.88 g/mol
Exact Mass419.16
IUPAC NameN-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O2.ClH/c20-19(21,22)15-5-3-14(4-6-15)18(27)24-12-17(26)25-9-7-16(8-10-25)23-11-13-1-2-13;/h3-6,13,16,23H,1-2,7-12H2,(H,24,27);1H
InChIKeyKBOJERKRFMGKRD-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
3-cyclopentyl-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119622386
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86969180

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 119624595) is N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCC(=O)N1CCC(NCC2CC2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is KBOJERKRFMGKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2.ClH/c20-19(21,22)15-5-3-14(4-6-15)18(27)24-12-17(26)25-9-7-16(8-10-25)23-11-13-1-2-13;/h3-6,13,16,23H,1-2,7-12H2,(H,24,27);1H.
What are the key properties of N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride?
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 419.88 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119624595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).