N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide

C27H33ClFN3O — CID 129055628

IUPACN-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cccc(F)c2Cl)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H33ClFN3O/c1-4-31(26(33)24-16-20-8-5-6-11-23(20)30-24)18-19-12-14-32(15-13-19)27(2,3)17-21-9-7-10-22(29)25(21)28/h5-11,16,19,30H,4,12-15,17-18H2,1-3H3
InChIKeyYCJNDMTUPGLOHV-UHFFFAOYSA-N
MW470.03 g/mol
LogP6.16
Rot. Bonds7

About N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide

N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 129055628) has the molecular formula C27H33ClFN3O and a molecular weight of 470.03 g/mol. Its IUPAC name is N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID129055628
Molecular FormulaC27H33ClFN3O
Molecular Weight470.03 g/mol
Exact Mass469.23
IUPAC NameN-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(CC1CCN(C(C)(C)Cc2cccc(F)c2Cl)CC1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H33ClFN3O/c1-4-31(26(33)24-16-20-8-5-6-11-23(20)30-24)18-19-12-14-32(15-13-19)27(2,3)17-21-9-7-10-22(29)25(21)28/h5-11,16,19,30H,4,12-15,17-18H2,1-3H3
InChIKeyYCJNDMTUPGLOHV-UHFFFAOYSA-N
XLogP6.16
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.03
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(1-benzofuran-2-yl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055636
N-ethyl-N-[[1-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 129055090
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055459
N-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 140931172
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931134
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 26391063
N-ethyl-N-[[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1H-indole-2-carboxamide
CID 158461798
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 129055670
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
N-ethyl-N-[[1-(2-methoxyphenyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 129055456
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
N-[[1-[1-[(3-fluorophenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 142459376

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide (CID 129055628) is N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is CCN(CC1CCN(C(C)(C)Cc2cccc(F)c2Cl)CC1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is YCJNDMTUPGLOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN3O/c1-4-31(26(33)24-16-20-8-5-6-11-23(20)30-24)18-19-12-14-32(15-13-19)27(2,3)17-21-9-7-10-22(29)25(21)28/h5-11,16,19,30H,4,12-15,17-18H2,1-3H3.
What are the key properties of N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide?
N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 470.03 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-chloro-3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 129055628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).