(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone

C26H25N3O — CID 66892033

IUPAC(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone
SMILESO=C(c1ccc2c(ccn2-c2ccncc2)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c30-26(28-15-10-21(11-16-28)18-20-4-2-1-3-5-20)23-6-7-25-22(19-23)12-17-29(25)24-8-13-27-14-9-24/h1-9,12-14,17,19,21H,10-11,15-16,18H2
InChIKeyZAHCESPRDBOWDA-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.12
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone

(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone (PubChem CID 66892033) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone
PubChem CID66892033
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone
SMILESO=C(c1ccc2c(ccn2-c2ccncc2)c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c30-26(28-15-10-21(11-16-28)18-20-4-2-1-3-5-20)23-6-7-25-22(19-23)12-17-29(25)24-8-13-27-14-9-24/h1-9,12-14,17,19,21H,10-11,15-16,18H2
InChIKeyZAHCESPRDBOWDA-UHFFFAOYSA-N
XLogP5.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-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

phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
3-methyl-5-[4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 110102911
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2350843
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone (CID 66892033) is (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone is O=C(c1ccc2c(ccn2-c2ccncc2)c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone?
The InChIKey is ZAHCESPRDBOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-26(28-15-10-21(11-16-28)18-20-4-2-1-3-5-20)23-6-7-25-22(19-23)12-17-29(25)24-8-13-27-14-9-24/h1-9,12-14,17,19,21H,10-11,15-16,18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone?
(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone is sourced from PubChem (CID 66892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).