N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide

C24H25N3O3 — CID 126800020

IUPACN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)Nc3cccc(C(=O)N4CCCC(CO)C4)c3)ccc2c1
InChIInChI=1S/C24H25N3O3/c1-16-7-9-21-18(12-16)8-10-22(26-21)23(29)25-20-6-2-5-19(13-20)24(30)27-11-3-4-17(14-27)15-28/h2,5-10,12-13,17,28H,3-4,11,14-15H2,1H3,(H,25,29)
InChIKeyNNUMTQOCHCSXOA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.64
Rot. Bonds4

About N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide (PubChem CID 126800020) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide
PubChem CID126800020
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)Nc3cccc(C(=O)N4CCCC(CO)C4)c3)ccc2c1
InChIInChI=1S/C24H25N3O3/c1-16-7-9-21-18(12-16)8-10-22(26-21)23(29)25-20-6-2-5-19(13-20)24(30)27-11-3-4-17(14-27)15-28/h2,5-10,12-13,17,28H,3-4,11,14-15H2,1H3,(H,25,29)
InChIKeyNNUMTQOCHCSXOA-UHFFFAOYSA-N
XLogP3.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97260286
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
CID 111777991
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 111122402
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 154850019
(1S)-N-[3-[(3R)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97260282
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide (CID 126800020) is N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide is Cc1ccc2nc(C(=O)Nc3cccc(C(=O)N4CCCC(CO)C4)c3)ccc2c1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide?
The InChIKey is NNUMTQOCHCSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-7-9-21-18(12-16)8-10-22(26-21)23(29)25-20-6-2-5-19(13-20)24(30)27-11-3-4-17(14-27)15-28/h2,5-10,12-13,17,28H,3-4,11,14-15H2,1H3,(H,25,29).
What are the key properties of N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide?
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-6-methylquinoline-2-carboxamide is sourced from PubChem (CID 126800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).