N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide

C20H27N3O2 — CID 138053853

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide
SMILESCc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)c2ncccc12
InChIInChI=1S/C20H27N3O2/c1-14-7-10-23(11-8-14)13-16(24)12-22-20(25)18-6-5-15(2)17-4-3-9-21-19(17)18/h3-6,9,14,16,24H,7-8,10-13H2,1-2H3,(H,22,25)
InChIKeyLHKCFDHNASRQHD-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.37
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide (PubChem CID 138053853) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide
PubChem CID138053853
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide
SMILESCc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)c2ncccc12
InChIInChI=1S/C20H27N3O2/c1-14-7-10-23(11-8-14)13-16(24)12-22-20(25)18-6-5-15(2)17-4-3-9-21-19(17)18/h3-6,9,14,16,24H,7-8,10-13H2,1-2H3,(H,22,25)
InChIKeyLHKCFDHNASRQHD-UHFFFAOYSA-N
XLogP2.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 111112743
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide (CID 138053853) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide is Cc1ccc(C(=O)NCC(O)CN2CCC(C)CC2)c2ncccc12.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide?
The InChIKey is LHKCFDHNASRQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-7-10-23(11-8-14)13-16(24)12-22-20(25)18-6-5-15(2)17-4-3-9-21-19(17)18/h3-6,9,14,16,24H,7-8,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide is sourced from PubChem (CID 138053853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).