[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H27N5O — CID 92716106

IUPAC[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C([C@H]1CCCN(c2nc3ccccc3[nH]2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c29-22(27-15-13-26(14-16-27)19-8-2-1-3-9-19)18-7-6-12-28(17-18)23-24-20-10-4-5-11-21(20)25-23/h1-5,8-11,18H,6-7,12-17H2,(H,24,25)/t18-/m0/s1
InChIKeyIWRPKJJUAYASEB-SFHVURJKSA-N
MW389.50 g/mol
LogP3.13
Rot. Bonds3

About [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 92716106) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID92716106
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C([C@H]1CCCN(c2nc3ccccc3[nH]2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c29-22(27-15-13-26(14-16-27)19-8-2-1-3-9-19)18-7-6-12-28(17-18)23-24-20-10-4-5-11-21(20)25-23/h1-5,8-11,18H,6-7,12-17H2,(H,24,25)/t18-/m0/s1
InChIKeyIWRPKJJUAYASEB-SFHVURJKSA-N
XLogP3.13
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-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-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 20882966
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 94009698
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 92716106) is [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C([C@H]1CCCN(c2nc3ccccc3[nH]2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IWRPKJJUAYASEB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O/c29-22(27-15-13-26(14-16-27)19-8-2-1-3-9-19)18-7-6-12-28(17-18)23-24-20-10-4-5-11-21(20)25-23/h1-5,8-11,18H,6-7,12-17H2,(H,24,25)/t18-/m0/s1.
What are the key properties of [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 92716106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).