(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone

C27H30N4O — CID 50847507

IUPAC(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N4O/c32-27(31-18-12-22(13-19-31)20-21-6-2-1-3-7-21)24-10-8-23(9-11-24)25-26(29-15-14-28-25)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-20H2
InChIKeyZPPFERZIBIITPG-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.84
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone

(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone (PubChem CID 50847507) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
PubChem CID50847507
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N4O/c32-27(31-18-12-22(13-19-31)20-21-6-2-1-3-7-21)24-10-8-23(9-11-24)25-26(29-15-14-28-25)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-20H2
InChIKeyZPPFERZIBIITPG-UHFFFAOYSA-N
XLogP4.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]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

[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone (CID 50847507) is (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone is O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
The InChIKey is ZPPFERZIBIITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c32-27(31-18-12-22(13-19-31)20-21-6-2-1-3-7-21)24-10-8-23(9-11-24)25-26(29-15-14-28-25)30-16-4-5-17-30/h1-3,6-11,14-15,22H,4-5,12-13,16-20H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone?
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone has a molecular weight of 426.56 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone is sourced from PubChem (CID 50847507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).