1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one

C27H31F4N5O3 — CID 71572678

IUPAC1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C(c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1)N1CCC(O)CC1
InChIInChI=1S/C27H31F4N5O3/c28-23-15-20(27(29,30)31)16-32-24(23)33-9-5-21(6-10-33)36-14-13-35(26(36)39)17-18-1-3-19(4-2-18)25(38)34-11-7-22(37)8-12-34/h1-4,15-16,21-22,37H,5-14,17H2
InChIKeyUWZGFUBVZYRBRX-UHFFFAOYSA-N
MW549.57 g/mol
LogP3.74
Rot. Bonds5

About 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one

1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 71572678) has the molecular formula C27H31F4N5O3 and a molecular weight of 549.57 g/mol. Its IUPAC name is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one
PubChem CID71572678
Molecular FormulaC27H31F4N5O3
Molecular Weight549.57 g/mol
Exact Mass549.24
IUPAC Name1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C(c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1)N1CCC(O)CC1
InChIInChI=1S/C27H31F4N5O3/c28-23-15-20(27(29,30)31)16-32-24(23)33-9-5-21(6-10-33)36-14-13-35(26(36)39)17-18-1-3-19(4-2-18)25(38)34-11-7-22(37)8-12-34/h1-4,15-16,21-22,37H,5-14,17H2
InChIKeyUWZGFUBVZYRBRX-UHFFFAOYSA-N
XLogP3.74
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxoimidazolidin-1-yl]methyl]benzoate
CID 71572675
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 71572230
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55345059
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
1-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 50789338
1-[1-(4-ethylbenzoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
CID 46335587
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165431893
6-[amino(methyl)amino]-N-cyclopropyl-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 71112161

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one (CID 71572678) is 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one is O=C(c1ccc(CN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is UWZGFUBVZYRBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F4N5O3/c28-23-15-20(27(29,30)31)16-32-24(23)33-9-5-21(6-10-33)36-14-13-35(26(36)39)17-18-1-3-19(4-2-18)25(38)34-11-7-22(37)8-12-34/h1-4,15-16,21-22,37H,5-14,17H2.
What are the key properties of 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one?
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 549.57 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 71572678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).