N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C24H29N3O3 — CID 60556379

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3cc4c([nH]c3=O)CCCC4=O)cc2)C1
InChIInChI=1S/C24H29N3O3/c1-16-4-3-11-27(14-16)15-18-9-7-17(8-10-18)13-25-23(29)20-12-19-21(26-24(20)30)5-2-6-22(19)28/h7-10,12,16H,2-6,11,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBFJHMHQWHYJAOM-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.06
Rot. Bonds5

About N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 60556379) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID60556379
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3cc4c([nH]c3=O)CCCC4=O)cc2)C1
InChIInChI=1S/C24H29N3O3/c1-16-4-3-11-27(14-16)15-18-9-7-17(8-10-18)13-25-23(29)20-12-19-21(26-24(20)30)5-2-6-22(19)28/h7-10,12,16H,2-6,11,13-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBFJHMHQWHYJAOM-UHFFFAOYSA-N
XLogP3.06
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37423414
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
5-chloro-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46473976
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
4-bromo-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565345
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
7-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51949017
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 60556379) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC1CCCN(Cc2ccc(CNC(=O)c3cc4c([nH]c3=O)CCCC4=O)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is BFJHMHQWHYJAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-4-3-11-27(14-16)15-18-9-7-17(8-10-18)13-25-23(29)20-12-19-21(26-24(20)30)5-2-6-22(19)28/h7-10,12,16H,2-6,11,13-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 60556379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).