(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone

C28H27N3O — CID 46288120

IUPAC(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H27N3O/c1-20-12-13-25-24(18-20)26(27(30-29-25)23-10-6-3-7-11-23)28(32)31-16-14-22(15-17-31)19-21-8-4-2-5-9-21/h2-13,18,22H,14-17,19H2,1H3
InChIKeyNXKZCRXTMTVZBV-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.70
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone (PubChem CID 46288120) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
PubChem CID46288120
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
SMILESCc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C28H27N3O/c1-20-12-13-25-24(18-20)26(27(30-29-25)23-10-6-3-7-11-23)28(32)31-16-14-22(15-17-31)19-21-8-4-2-5-9-21/h2-13,18,22H,14-17,19H2,1H3
InChIKeyNXKZCRXTMTVZBV-UHFFFAOYSA-N
XLogP5.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
CID 100748960
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)cinnolin-4-yl]methanone
CID 46287905
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
(4-benzylpiperidin-1-yl)-[3-(1,3-dimethylpyrazol-4-yl)phenyl]methanone
CID 118793349
[4-[(4-phenylphenyl)methyl]piperidin-1-yl]-(2,3,5,6-tetrafluorophenyl)methanone
CID 46086891
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone (CID 46288120) is (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone is Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone?
The InChIKey is NXKZCRXTMTVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-20-12-13-25-24(18-20)26(27(30-29-25)23-10-6-3-7-11-23)28(32)31-16-14-22(15-17-31)19-21-8-4-2-5-9-21/h2-13,18,22H,14-17,19H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone has a molecular weight of 421.54 g/mol, XLogP of 5.70, 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)-(6-methyl-3-phenylcinnolin-4-yl)methanone is sourced from PubChem (CID 46288120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).