cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide

C24H32F4N6O2 — CID 10391682

About cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide

cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide (PubChem CID 10391682) has the molecular formula C24H32F4N6O2 and a molecular weight of 512.55 g/mol. Its IUPAC name is cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide
• PubChem CID: 10391682
• Molecular Formula: C24H32F4N6O2
• Molecular Weight: 512.55 g/mol
• Exact Mass: 512.25
• IUPAC Name: cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide
• SMILES: Cn1nnnc1C1CCN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C(C)(C)O)C2)CC1
• InChI: InChI=1S/C24H32F4N6O2/c1-22(2,36)23(21(35)29-14-15-10-17(24(26,27)28)12-18(25)11-15)7-4-19(13-23)34-8-5-16(6-9-34)20-30-31-32-33(20)3/h10-12,16,19,36H,4-9,13-14H2,1-3H3,(H,29,35)/t19-,23-/m1/s1
• InChIKey: PZWZZOGFKGVRPH-AUSIDOKSSA-N
• XLogP: 3.17
• TPSA: 96.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.55
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide?

The IUPAC name of cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide (CID 10391682) is cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide?

The canonical SMILES for cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide is Cn1nnnc1C1CCN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C(C)(C)O)C2)CC1.

What is the InChIKey of cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide?

The InChIKey is PZWZZOGFKGVRPH-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H32F4N6O2/c1-22(2,36)23(21(35)29-14-15-10-17(24(26,27)28)12-18(25)11-15)7-4-19(13-23)34-8-5-16(6-9-34)20-30-31-32-33(20)3/h10-12,16,19,36H,4-9,13-14H2,1-3H3,(H,29,35)/t19-,23-/m1/s1.

What are the key properties of cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide?

cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide has a molecular weight of 512.55 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 10391682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).