N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide

C19H25F3N2O — CID 42358991

IUPACN-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)NC1CC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)16-6-3-15(4-7-16)13-24-11-1-2-14(12-24)5-10-18(25)23-17-8-9-17/h3-4,6-7,14,17H,1-2,5,8-13H2,(H,23,25)/t14-/m0/s1
InChIKeyOVKRQBDOTHZAEM-AWEZNQCLSA-N
MW354.42 g/mol
LogP3.98
Rot. Bonds6

About N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide (PubChem CID 42358991) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
PubChem CID42358991
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)NC1CC1
InChIInChI=1S/C19H25F3N2O/c20-19(21,22)16-6-3-15(4-7-16)13-24-11-1-2-14(12-24)5-10-18(25)23-17-8-9-17/h3-4,6-7,14,17H,1-2,5,8-13H2,(H,23,25)/t14-/m0/s1
InChIKeyOVKRQBDOTHZAEM-AWEZNQCLSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
3-[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97279744
3-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45238209
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45219731
3-[1-[(5-cyclohexylthiophen-2-yl)methyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 56717845
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
3-[(3S)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97284094
3-[(3R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97281937
N-cyclopropyl-3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]propanamide
CID 45180081
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide (CID 42358991) is N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide is O=C(CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide?
The InChIKey is OVKRQBDOTHZAEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25F3N2O/c20-19(21,22)16-6-3-15(4-7-16)13-24-11-1-2-14(12-24)5-10-18(25)23-17-8-9-17/h3-4,6-7,14,17H,1-2,5,8-13H2,(H,23,25)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide?
N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide has a molecular weight of 354.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42358991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).