(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone

C27H30N4O3 — CID 166110422

IUPAC(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(N3CCN(C(=O)C4CCCN(C(=O)c5ccccc5)C4)CC3)ccnc2c1
InChIInChI=1S/C27H30N4O3/c1-34-22-9-10-23-24(18-22)28-12-11-25(23)29-14-16-30(17-15-29)27(33)21-8-5-13-31(19-21)26(32)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,21H,5,8,13-17,19H2,1H3
InChIKeyLVEWEZGKGKLWFP-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.44
Rot. Bonds4

About (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone

(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 166110422) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID166110422
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2c(N3CCN(C(=O)C4CCCN(C(=O)c5ccccc5)C4)CC3)ccnc2c1
InChIInChI=1S/C27H30N4O3/c1-34-22-9-10-23-24(18-22)28-12-11-25(23)29-14-16-30(17-15-29)27(33)21-8-5-13-31(19-21)26(32)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,21H,5,8,13-17,19H2,1H3
InChIKeyLVEWEZGKGKLWFP-UHFFFAOYSA-N
XLogP3.44
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-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

tert-butyl (3S)-3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate;sulfane
CID 167584254
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612052
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126429371
2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 166110468
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512544
tert-butyl 3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidine-1-carboxylate
CID 166110568
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone (CID 166110422) is (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone is COc1ccc2c(N3CCN(C(=O)C4CCCN(C(=O)c5ccccc5)C4)CC3)ccnc2c1.
What is the InChIKey of (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LVEWEZGKGKLWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-34-22-9-10-23-24(18-22)28-12-11-25(23)29-14-16-30(17-15-29)27(33)21-8-5-13-31(19-21)26(32)20-6-3-2-4-7-20/h2-4,6-7,9-12,18,21H,5,8,13-17,19H2,1H3.
What are the key properties of (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone?
(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 458.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 166110422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).