1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide

C22H24F3N3O — CID 55765689

IUPAC1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)17-7-8-19(26-15-17)28-13-9-18(10-14-28)27-20(29)21(11-4-12-21)16-5-2-1-3-6-16/h1-3,5-8,15,18H,4,9-14H2,(H,27,29)
InChIKeyGUGZMPKLKRVQLI-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.31
Rot. Bonds4

About 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide

1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide (PubChem CID 55765689) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
PubChem CID55765689
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C22H24F3N3O/c23-22(24,25)17-7-8-19(26-15-17)28-13-9-18(10-14-28)27-20(29)21(11-4-12-21)16-5-2-1-3-6-16/h1-3,5-8,15,18H,4,9-14H2,(H,27,29)
InChIKeyGUGZMPKLKRVQLI-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
CID 119843831
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
2-N-cyclopropyl-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 112835151
4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
[1-(3-fluorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55331330

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide (CID 55765689) is 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide?
The InChIKey is GUGZMPKLKRVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c23-22(24,25)17-7-8-19(26-15-17)28-13-9-18(10-14-28)27-20(29)21(11-4-12-21)16-5-2-1-3-6-16/h1-3,5-8,15,18H,4,9-14H2,(H,27,29).
What are the key properties of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide?
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).