N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide

C30H35F3N4O2 — CID 22135061

IUPACN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N(CC(=O)NCC3CCN(C4CCCC4)CC3)c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C30H35F3N4O2/c1-20-17-34-26-16-22(10-11-24(20)26)29(39)37(27-9-5-4-8-25(27)30(31,32)33)19-28(38)35-18-21-12-14-36(15-13-21)23-6-2-3-7-23/h4-5,8-11,16-17,21,23,34H,2-3,6-7,12-15,18-19H2,1H3,(H,35,38)
InChIKeyMAQNWAYTTJAENN-UHFFFAOYSA-N
MW540.63 g/mol
LogP5.91
Rot. Bonds7

About N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide

N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide (PubChem CID 22135061) has the molecular formula C30H35F3N4O2 and a molecular weight of 540.63 g/mol. Its IUPAC name is N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide
PubChem CID22135061
Molecular FormulaC30H35F3N4O2
Molecular Weight540.63 g/mol
Exact Mass540.27
IUPAC NameN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide
SMILESCc1c[nH]c2cc(C(=O)N(CC(=O)NCC3CCN(C4CCCC4)CC3)c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C30H35F3N4O2/c1-20-17-34-26-16-22(10-11-24(20)26)29(39)37(27-9-5-4-8-25(27)30(31,32)33)19-28(38)35-18-21-12-14-36(15-13-21)23-6-2-3-7-23/h4-5,8-11,16-17,21,23,34H,2-3,6-7,12-15,18-19H2,1H3,(H,35,38)
InChIKeyMAQNWAYTTJAENN-UHFFFAOYSA-N
XLogP5.91
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide (CID 22135061) is N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide is Cc1c[nH]c2cc(C(=O)N(CC(=O)NCC3CCN(C4CCCC4)CC3)c3ccccc3C(F)(F)F)ccc12.
What is the InChIKey of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide?
The InChIKey is MAQNWAYTTJAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4O2/c1-20-17-34-26-16-22(10-11-24(20)26)29(39)37(27-9-5-4-8-25(27)30(31,32)33)19-28(38)35-18-21-12-14-36(15-13-21)23-6-2-3-7-23/h4-5,8-11,16-17,21,23,34H,2-3,6-7,12-15,18-19H2,1H3,(H,35,38).
What are the key properties of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide?
N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide has a molecular weight of 540.63 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 22135061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).