N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide

C27H31N3O2 — CID 55734289

IUPACN-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C27H31N3O2/c1-20-13-16-30(17-14-20)19-21-6-10-25(11-7-21)29-26(31)12-15-28-27(32)24-9-8-22-4-2-3-5-23(22)18-24/h2-11,18,20H,12-17,19H2,1H3,(H,28,32)(H,29,31)
InChIKeyIGQLUAPENPTQLG-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.83
Rot. Bonds7

About N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55734289) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55734289
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C27H31N3O2/c1-20-13-16-30(17-14-20)19-21-6-10-25(11-7-21)29-26(31)12-15-28-27(32)24-9-8-22-4-2-3-5-23(22)18-24/h2-11,18,20H,12-17,19H2,1H3,(H,28,32)(H,29,31)
InChIKeyIGQLUAPENPTQLG-UHFFFAOYSA-N
XLogP4.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
3-[[4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 39182729
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55734289) is N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is CC1CCN(Cc2ccc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is IGQLUAPENPTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20-13-16-30(17-14-20)19-21-6-10-25(11-7-21)29-26(31)12-15-28-27(32)24-9-8-22-4-2-3-5-23(22)18-24/h2-11,18,20H,12-17,19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55734289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).