N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C26H35N3O — CID 134253868

IUPACN-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)c1ccccc1CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21
InChIInChI=1S/C26H35N3O/c1-19(2)24-8-4-3-6-23(24)18-29-15-5-7-21-16-22(9-10-25(21)29)26(30)28-17-20-11-13-27-14-12-20/h3-4,6,8-10,16,19-20,27H,5,7,11-15,17-18H2,1-2H3,(H,28,30)
InChIKeyMDDPJZCGYBFAOJ-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.49
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 134253868) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID134253868
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)c1ccccc1CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21
InChIInChI=1S/C26H35N3O/c1-19(2)24-8-4-3-6-23(24)18-29-15-5-7-21-16-22(9-10-25(21)29)26(30)28-17-20-11-13-27-14-12-20/h3-4,6,8-10,16,19-20,27H,5,7,11-15,17-18H2,1-2H3,(H,28,30)
InChIKeyMDDPJZCGYBFAOJ-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2E)-2-(aminomethylidene)butyl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 142286391
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 134253881
2-[2-fluoro-3-[[6-(1-phenylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123383084
1-[1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]-1-[(4-sulfanylphenyl)methylamino]ethanol
CID 134253886
2-[2-fluoro-3-[[6-(1-naphthalen-2-ylethylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]benzoic acid
CID 123899971
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
2-methyl-1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260239
N-[(3-fluoro-4-methylphenyl)methyl]-1-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 126499328
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
N-[(1-methylpiperidin-4-yl)methyl]-2-(2-phenoxyacetyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995387

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 134253868) is N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CC(C)c1ccccc1CN1CCCc2cc(C(=O)NCC3CCNCC3)ccc21.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is MDDPJZCGYBFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-19(2)24-8-4-3-6-23(24)18-29-15-5-7-21-16-22(9-10-25(21)29)26(30)28-17-20-11-13-27-14-12-20/h3-4,6,8-10,16,19-20,27H,5,7,11-15,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-[(2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 134253868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).