[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

C27H32N4O — CID 42522862

IUPAC[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c2ccccc2n1
InChIInChI=1S/C27H32N4O/c1-20-8-3-6-12-26(20)30-16-14-29(15-17-30)22-9-7-13-31(19-22)27(32)24-18-21(2)28-25-11-5-4-10-23(24)25/h3-6,8,10-12,18,22H,7,9,13-17,19H2,1-2H3/t22-/m1/s1
InChIKeyUTTWSJIRGVJTRH-JOCHJYFZSA-N
MW428.58 g/mol
LogP4.28
Rot. Bonds3

About [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 42522862) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID42522862
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c2ccccc2n1
InChIInChI=1S/C27H32N4O/c1-20-8-3-6-12-26(20)30-16-14-29(15-17-30)22-9-7-13-31(19-22)27(32)24-18-21(2)28-25-11-5-4-10-23(24)25/h3-6,8,10-12,18,22H,7,9,13-17,19H2,1-2H3/t22-/m1/s1
InChIKeyUTTWSJIRGVJTRH-JOCHJYFZSA-N
XLogP4.28
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 42532864
(5-methyl-1,2-oxazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45221624
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42291710
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 26394595
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 42522862) is [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c2ccccc2n1.
What is the InChIKey of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is UTTWSJIRGVJTRH-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N4O/c1-20-8-3-6-12-26(20)30-16-14-29(15-17-30)22-9-7-13-31(19-22)27(32)24-18-21(2)28-25-11-5-4-10-23(24)25/h3-6,8,10-12,18,22H,7,9,13-17,19H2,1-2H3/t22-/m1/s1.
What are the key properties of [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 428.58 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 42522862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).