N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide

C29H28N2O2 — CID 118063257

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cc2)CC1
InChIInChI=1S/C29H28N2O2/c1-31-18-16-28(17-19-31)33-27-14-10-23(11-15-27)22-8-12-26(13-9-22)30-29(32)25-7-6-21-4-2-3-5-24(21)20-25/h2-15,20,28H,16-19H2,1H3,(H,30,32)
InChIKeyYXZPNWMLCDXCHM-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.23
Rot. Bonds5

About N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide (PubChem CID 118063257) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide
PubChem CID118063257
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cc2)CC1
InChIInChI=1S/C29H28N2O2/c1-31-18-16-28(17-19-31)33-27-14-10-23(11-15-27)22-8-12-26(13-9-22)30-29(32)25-7-6-21-4-2-3-5-24(21)20-25/h2-15,20,28H,16-19H2,1H3,(H,30,32)
InChIKeyYXZPNWMLCDXCHM-UHFFFAOYSA-N
XLogP6.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]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

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
BP-897
CID 3038494
(S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide
CID 9909448
4'-Ethoxy-3-hydroxy-2-naphthanilide
CID 78443
2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-
CID 78442
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(naphthalen-2-yl)propanamide
CID 23648328
3-methoxy-N-(4-methylphenyl)-2-naphthamide
CID 790572
N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046526
N-(6-(4-(2-methoxyphenyl)piperazin-1-yl)hexyl)-2-naphthamide
CID 49864360
5-Methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 52944379
3-methoxy-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 750181

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide (CID 118063257) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is YXZPNWMLCDXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-31-18-16-28(17-19-31)33-27-14-10-23(11-15-27)22-8-12-26(13-9-22)30-29(32)25-7-6-21-4-2-3-5-24(21)20-25/h2-15,20,28H,16-19H2,1H3,(H,30,32).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 118063257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).