N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

C17H22ClF3N2O2 — CID 171393398

IUPACN-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1cc(C2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-4-3-13(12-5-7-21-8-6-12)9-14(15)16(23)22-10-11-1-2-11;/h3-4,9,11-12,21H,1-2,5-8,10H2,(H,22,23);1H
InChIKeyUEEGLMWKVLQCDD-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.61
Rot. Bonds5

About N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride

N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 171393398) has the molecular formula C17H22ClF3N2O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID171393398
Molecular FormulaC17H22ClF3N2O2
Molecular Weight378.82 g/mol
Exact Mass378.13
IUPAC NameN-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
SMILESCl.O=C(NCC1CC1)c1cc(C2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-4-3-13(12-5-7-21-8-6-12)9-14(15)16(23)22-10-11-1-2-11;/h3-4,9,11-12,21H,1-2,5-8,10H2,(H,22,23);1H
InChIKeyUEEGLMWKVLQCDD-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
N-(2-methylpropyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393396
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001211
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
CID 69470093
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
CID 171362054
methyl 2-methyl-2-[4-piperidin-4-yl-2-(trifluoromethyl)phenoxy]propanoate
CID 170758902
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride (CID 171393398) is N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is Cl.O=C(NCC1CC1)c1cc(C2CCNCC2)ccc1OC(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is UEEGLMWKVLQCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)24-15-4-3-13(12-5-7-21-8-6-12)9-14(15)16(23)22-10-11-1-2-11;/h3-4,9,11-12,21H,1-2,5-8,10H2,(H,22,23);1H.
What are the key properties of N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride?
N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 171393398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).