3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one

C34H40N4O3 — CID 22671403

IUPAC3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1cccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C34H40N4O3/c1-41-29-9-7-8-27(24-29)30(25-12-14-26(15-13-25)33(39)37-19-5-2-6-20-37)18-23-36-21-16-28(17-22-36)38-32-11-4-3-10-31(32)35-34(38)40/h3-4,7-15,24,28,30H,2,5-6,16-23H2,1H3,(H,35,40)
InChIKeyJVEOYMOBAIWSEZ-UHFFFAOYSA-N
MW552.72 g/mol
LogP5.82
Rot. Bonds8

About 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 22671403) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID22671403
Molecular FormulaC34H40N4O3
Molecular Weight552.72 g/mol
Exact Mass552.31
IUPAC Name3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1cccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(C(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C34H40N4O3/c1-41-29-9-7-8-27(24-29)30(25-12-14-26(15-13-25)33(39)37-19-5-2-6-20-37)18-23-36-21-16-28(17-22-36)38-32-11-4-3-10-31(32)35-34(38)40/h3-4,7-15,24,28,30H,2,5-6,16-23H2,1H3,(H,35,40)
InChIKeyJVEOYMOBAIWSEZ-UHFFFAOYSA-N
XLogP5.82
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-methoxybenzamide
CID 2988057
1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44443435
1-{1-[6-(4-Oxo-2-phenyl-4H-chromen-6-yloxy)-hexyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
CID 14982983
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 16011618
1-(1-(3-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 16371051
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
CID 29180108
3-[1-[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44441928
1-(1-(4-amino-3-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44443436
1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 44443446
1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-4,5-dimethyl-1H-benzo[d]imidazol-2(3H)-one
CID 44443447
5-fluoro-1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44443448

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 22671403) is 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1cccc(C(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(C(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JVEOYMOBAIWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O3/c1-41-29-9-7-8-27(24-29)30(25-12-14-26(15-13-25)33(39)37-19-5-2-6-20-37)18-23-36-21-16-28(17-22-36)38-32-11-4-3-10-31(32)35-34(38)40/h3-4,7-15,24,28,30H,2,5-6,16-23H2,1H3,(H,35,40).
What are the key properties of 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 552.72 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 22671403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).