N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide

C15H18ClF3N2O — CID 109013943

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O/c16-13-5-4-11(10-12(13)15(17,18)19)20-14(22)6-9-21-7-2-1-3-8-21/h4-5,10H,1-3,6-9H2,(H,20,22)
InChIKeyQOALHYJEMWEATP-UHFFFAOYSA-N
MW334.77 g/mol
LogP4.17
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 109013943) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
PubChem CID109013943
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O/c16-13-5-4-11(10-12(13)15(17,18)19)20-14(22)6-9-21-7-2-1-3-8-21/h4-5,10H,1-3,6-9H2,(H,20,22)
InChIKeyQOALHYJEMWEATP-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 109028574
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686957
3-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 24589076
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 2219815
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide (CID 109013943) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is QOALHYJEMWEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c16-13-5-4-11(10-12(13)15(17,18)19)20-14(22)6-9-21-7-2-1-3-8-21/h4-5,10H,1-3,6-9H2,(H,20,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 334.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 109013943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).