6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one

C21H27N3O2 — CID 177314010

IUPAC6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one
SMILES[H]/N=C(\c1ccc2[nH]c(=O)ccc2c1)C1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C21H27N3O2/c22-21(15-3-9-19-14(12-15)4-10-20(26)23-19)16-2-1-11-24(13-16)17-5-7-18(25)8-6-17/h3-4,9-10,12,16-18,22,25H,1-2,5-8,11,13H2,(H,23,26)/b22-21+
InChIKeyUVWBQMXKVCRTMY-QURGRASLSA-N
MW353.47 g/mol
LogP2.91
Rot. Bonds3

About 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one

6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one (PubChem CID 177314010) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one
PubChem CID177314010
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one
SMILES[H]/N=C(\c1ccc2[nH]c(=O)ccc2c1)C1CCCN(C2CCC(O)CC2)C1
InChIInChI=1S/C21H27N3O2/c22-21(15-3-9-19-14(12-15)4-10-20(26)23-19)16-2-1-11-24(13-16)17-5-7-18(25)8-6-17/h3-4,9-10,12,16-18,22,25H,1-2,5-8,11,13H2,(H,23,26)/b22-21+
InChIKeyUVWBQMXKVCRTMY-QURGRASLSA-N
XLogP2.91
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;4-[3-[6-(trifluoromethoxy)naphthalene-2-carboximidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177313998
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888
2-oxo-1H-quinoline-6-carboximidoyl chloride
CID 118270507
einsteinium;4-[3-[(E)-N-hydroxy-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177313902
N-cycloheptyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903556
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 114762640
1-(4-hydroxycyclohexyl)-N-methylpiperidine-3-carboxamide
CID 103198801
4-[3-[(E)-N-(methoxymethyl)-C-(2-methoxyquinolin-6-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177314051
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78959581
5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78992331
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one?
The IUPAC name of 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one (CID 177314010) is 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one is [H]/N=C(\c1ccc2[nH]c(=O)ccc2c1)C1CCCN(C2CCC(O)CC2)C1.
What is the InChIKey of 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one?
The InChIKey is UVWBQMXKVCRTMY-QURGRASLSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-21(15-3-9-19-14(12-15)4-10-20(26)23-19)16-2-1-11-24(13-16)17-5-7-18(25)8-6-17/h3-4,9-10,12,16-18,22,25H,1-2,5-8,11,13H2,(H,23,26)/b22-21+.
What are the key properties of 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one?
6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one is sourced from PubChem (CID 177314010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).