[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

C22H26N6O — CID 55576245

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N6O/c29-21(17-5-3-12-28(15-17)22-23-10-4-11-24-22)27-13-8-16(9-14-27)20-25-18-6-1-2-7-19(18)26-20/h1-2,4,6-7,10-11,16-17H,3,5,8-9,12-15H2,(H,25,26)
InChIKeyCKDVPMVOMWKJDB-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (PubChem CID 55576245) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
PubChem CID55576245
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ncccn2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H26N6O/c29-21(17-5-3-12-28(15-17)22-23-10-4-11-24-22)27-13-8-16(9-14-27)20-25-18-6-1-2-7-19(18)26-20/h1-2,4,6-7,10-11,16-17H,3,5,8-9,12-15H2,(H,25,26)
InChIKeyCKDVPMVOMWKJDB-UHFFFAOYSA-N
XLogP2.98
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone 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-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155506967
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134798664
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (CID 55576245) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2ncccn2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The InChIKey is CKDVPMVOMWKJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21(17-5-3-12-28(15-17)22-23-10-4-11-24-22)27-13-8-16(9-14-27)20-25-18-6-1-2-7-19(18)26-20/h1-2,4,6-7,10-11,16-17H,3,5,8-9,12-15H2,(H,25,26).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 55576245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).