N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide

C28H36N4O — CID 11525100

IUPACN-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
SMILESCc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChIInChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1
InChIKeyLKGIWTVSYFHATA-DEOSSOPVSA-N
MW444.62 g/mol
LogP5.20
Rot. Bonds7

About N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide

N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide (PubChem CID 11525100) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
PubChem CID11525100
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC NameN-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
SMILESCc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
InChIInChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1
InChIKeyLKGIWTVSYFHATA-DEOSSOPVSA-N
XLogP5.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mizolastine
CID 65906
Glasdegib
CID 25166913
Lerisetron
CID 65997
Tecastemizole
CID 123618
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzamide
CID 10273657
1-(1-(1-Methylcyclooctyl)-4-piperidinyl)-2-((3R)-3-piperidinyl)-1H-benzimidazole
CID 24800108
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646599
N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CID 67033699
N-[(1S)-3-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11503459
2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1H-benzimidazole
CID 25058425

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide (CID 11525100) is N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide is Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide?
The InChIKey is LKGIWTVSYFHATA-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1.
What are the key properties of N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide?
N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide has a molecular weight of 444.62 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[4-methyl-4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide is sourced from PubChem (CID 11525100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).