N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide

C33H32F4N4O3 — CID 141254520

IUPACN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C33H32F4N4O3/c34-24-6-1-21(2-7-24)32(43)41-15-11-25(12-16-41)38-31(42)30-19-22-3-10-28(20-29(22)39-30)44-27-13-17-40(18-14-27)26-8-4-23(5-9-26)33(35,36)37/h1-10,19-20,25,27,39H,11-18H2,(H,38,42)
InChIKeyPLOLQTDCQCSKGE-UHFFFAOYSA-N
MW608.64 g/mol
LogP6.41
Rot. Bonds6

About N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide (PubChem CID 141254520) has the molecular formula C33H32F4N4O3 and a molecular weight of 608.64 g/mol. Its IUPAC name is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide
PubChem CID141254520
Molecular FormulaC33H32F4N4O3
Molecular Weight608.64 g/mol
Exact Mass608.24
IUPAC NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C33H32F4N4O3/c34-24-6-1-21(2-7-24)32(43)41-15-11-25(12-16-41)38-31(42)30-19-22-3-10-28(20-29(22)39-30)44-27-13-17-40(18-14-27)26-8-4-23(5-9-26)33(35,36)37/h1-10,19-20,25,27,39H,11-18H2,(H,38,42)
InChIKeyPLOLQTDCQCSKGE-UHFFFAOYSA-N
XLogP6.41
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.64
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
3-[6-[4-[5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]pentyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155167046
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 155681508
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 138105970
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-6-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 9916347
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
4-[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 90675379
1-(2-chloroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162643433
1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162643666

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide (CID 141254520) is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1cc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2[nH]1.
What is the InChIKey of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide?
The InChIKey is PLOLQTDCQCSKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F4N4O3/c34-24-6-1-21(2-7-24)32(43)41-15-11-25(12-16-41)38-31(42)30-19-22-3-10-28(20-29(22)39-30)44-27-13-17-40(18-14-27)26-8-4-23(5-9-26)33(35,36)37/h1-10,19-20,25,27,39H,11-18H2,(H,38,42).
What are the key properties of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide?
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide has a molecular weight of 608.64 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-indole-2-carboxamide is sourced from PubChem (CID 141254520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).