3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H30N6O2 — CID 10137795

IUPAC3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cnccn1)N1CCC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C24H30N6O2/c31-23(21-17-25-10-11-26-21)29-15-6-18(7-16-29)5-12-28-13-8-19(9-14-28)30-22-4-2-1-3-20(22)27-24(30)32/h1-4,10-11,17-19H,5-9,12-16H2,(H,27,32)
InChIKeyDPBQMHQOVPXVEL-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.70
Rot. Bonds5

About 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10137795) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10137795
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1cnccn1)N1CCC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C24H30N6O2/c31-23(21-17-25-10-11-26-21)29-15-6-18(7-16-29)5-12-28-13-8-19(9-14-28)30-22-4-2-1-3-20(22)27-24(30)32/h1-4,10-11,17-19H,5-9,12-16H2,(H,27,32)
InChIKeyDPBQMHQOVPXVEL-UHFFFAOYSA-N
XLogP2.70
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one 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

1-(2-(dimethylamino)ethyl)-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 46933385
1-(3-(dimethylamino)propyl)-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49865043
3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863232
(R)-5-(3-(3-Methyl-2-oxoimidazolidin-1-YL)piperidin-1-YL)-3-((4-(piperidin-4-YL)phenyl)amino)pyrazine-2-carboxamide
CID 118114824
1-isobutyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864902
1-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864794
1-(1-((1-(pyridin-4-ylmethyl)piperidin-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864796
1-(1-(2-(1-(pyridin-4-ylmethyl)piperidin-4-yl)acetyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864797
1-(1-(4-(pyridin-4-ylmethyl)piperazine-1-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864864
1-methyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864901
1-(1-(1-(pyridin-3-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49865219
1-(1-(1-(1-(pyridin-4-yl)ethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49865282

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 10137795) is 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1cnccn1)N1CCC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DPBQMHQOVPXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c31-23(21-17-25-10-11-26-21)29-15-6-18(7-16-29)5-12-28-13-8-19(9-14-28)30-22-4-2-1-3-20(22)27-24(30)32/h1-4,10-11,17-19H,5-9,12-16H2,(H,27,32).
What are the key properties of 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10137795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).