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

C27H31N3O2 — CID 55736297

IUPACN-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H31N3O2/c1-20-6-4-5-17-30(20)19-21-9-13-25(14-10-21)29-26(31)15-16-28-27(32)24-12-11-22-7-2-3-8-23(22)18-24/h2-3,7-14,18,20H,4-6,15-17,19H2,1H3,(H,28,32)(H,29,31)
InChIKeyYTDWLFVKHJRWMF-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.97
Rot. Bonds7

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

N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55736297) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55736297
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H31N3O2/c1-20-6-4-5-17-30(20)19-21-9-13-25(14-10-21)29-26(31)15-16-28-27(32)24-12-11-22-7-2-3-8-23(22)18-24/h2-3,7-14,18,20H,4-6,15-17,19H2,1H3,(H,28,32)(H,29,31)
InChIKeyYTDWLFVKHJRWMF-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55734289
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 55736187
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55736251
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55736297) is N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is CC1CCCCN1Cc1ccc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is YTDWLFVKHJRWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20-6-4-5-17-30(20)19-21-9-13-25(14-10-21)29-26(31)15-16-28-27(32)24-12-11-22-7-2-3-8-23(22)18-24/h2-3,7-14,18,20H,4-6,15-17,19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55736297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).