N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide

C29H39FN4O2 — CID 142917474

IUPACN-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide
SMILESCC1=NC(C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(NC(=O)C(C)C)C2)CC1
InChIInChI=1S/C29H39FN4O2/c1-20(2)27(35)31-26-8-5-7-23(19-26)22-13-17-33(18-14-22)15-6-16-34-21(3)32-29(4,28(34)36)24-9-11-25(30)12-10-24/h5,7-12,20,22,26H,6,13-19H2,1-4H3,(H,31,35)
InChIKeyOYZKCZPWZLCZSB-UHFFFAOYSA-N
MW494.66 g/mol
LogP4.43
Rot. Bonds8

About N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide

N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide (PubChem CID 142917474) has the molecular formula C29H39FN4O2 and a molecular weight of 494.66 g/mol. Its IUPAC name is N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide
PubChem CID142917474
Molecular FormulaC29H39FN4O2
Molecular Weight494.66 g/mol
Exact Mass494.31
IUPAC NameN-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide
SMILESCC1=NC(C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(NC(=O)C(C)C)C2)CC1
InChIInChI=1S/C29H39FN4O2/c1-20(2)27(35)31-26-8-5-7-23(19-26)22-13-17-33(18-14-22)15-6-16-34-21(3)32-29(4,28(34)36)24-9-11-25(30)12-10-24/h5,7-12,20,22,26H,6,13-19H2,1-4H3,(H,31,35)
InChIKeyOYZKCZPWZLCZSB-UHFFFAOYSA-N
XLogP4.43
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 11548734
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-phenylacetamide
CID 59262349
2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 44530795
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1,4,4-trimethyl-6-oxo-2-phenyl-5H-pyrimidin-5-yl)pentanamide
CID 44344993
(2R)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-piperidin-1-ylpentan-2-yl]-3-(4-fluorophenyl)propanamide
CID 44453826
2-Methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991605
2-(dimethylamino)-N-{[4-(dimethylamino)-1-ethyl-4-piperidinyl]methyl}-2-(4-fluorophenyl)acetamide
CID 72864067
2-(dimethylamino)-N-{[4-(dimethylamino)-1-ethyl-4-piperidinyl]methyl}-2-(2-fluorophenyl)acetamide
CID 72886679
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136216801
methyl N-[(1S)-1-[(4-fluorophenyl)methyl]-2-[[(1S)-4-[(4R)-2-imino-4-isobutyl-5-oxo-4-phenyl-imidazolidin-1-yl]-1-methyl-butyl]amino]-2-oxo-ethyl]carbamate
CID 134588921
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46024661
3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxamide
CID 97406757

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide (CID 142917474) is N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide is CC1=NC(C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(NC(=O)C(C)C)C2)CC1.
What is the InChIKey of N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide?
The InChIKey is OYZKCZPWZLCZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN4O2/c1-20(2)27(35)31-26-8-5-7-23(19-26)22-13-17-33(18-14-22)15-6-16-34-21(3)32-29(4,28(34)36)24-9-11-25(30)12-10-24/h5,7-12,20,22,26H,6,13-19H2,1-4H3,(H,31,35).
What are the key properties of N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide?
N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide has a molecular weight of 494.66 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-[4-(4-fluorophenyl)-2,4-dimethyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]-2-methylpropanamide is sourced from PubChem (CID 142917474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).