N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide

C28H35FN4O — CID 59385569

IUPACN-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)N2CCC(C3C=Nc4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C28H35FN4O/c1-32(2)28(21-6-4-3-5-7-21)14-10-23(11-15-28)31-27(34)33-16-12-20(13-17-33)25-19-30-26-9-8-22(29)18-24(25)26/h3-9,18-20,23,25H,10-17H2,1-2H3,(H,31,34)
InChIKeyBJQQJLKNXZYMCD-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide

N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide (PubChem CID 59385569) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide
PubChem CID59385569
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC NameN-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)N2CCC(C3C=Nc4ccc(F)cc43)CC2)CC1
InChIInChI=1S/C28H35FN4O/c1-32(2)28(21-6-4-3-5-7-21)14-10-23(11-15-28)31-27(34)33-16-12-20(13-17-33)25-19-30-26-9-8-22(29)18-24(25)26/h3-9,18-20,23,25H,10-17H2,1-2H3,(H,31,34)
InChIKeyBJQQJLKNXZYMCD-UHFFFAOYSA-N
XLogP5.45
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide (CID 59385569) is N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide is CN(C)C1(c2ccccc2)CCC(NC(=O)N2CCC(C3C=Nc4ccc(F)cc43)CC2)CC1.
What is the InChIKey of N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide?
The InChIKey is BJQQJLKNXZYMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-32(2)28(21-6-4-3-5-7-21)14-10-23(11-15-28)31-27(34)33-16-12-20(13-17-33)25-19-30-26-9-8-22(29)18-24(25)26/h3-9,18-20,23,25H,10-17H2,1-2H3,(H,31,34).
What are the key properties of N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide?
N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide has a molecular weight of 462.61 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-phenylcyclohexyl]-4-(5-fluoro-3H-indol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 59385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).