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

C29H28N2O2 — CID 118063788

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)cc2)CC1
InChIInChI=1S/C29H28N2O2/c1-31-19-17-26(18-20-31)33-25-15-11-22(12-16-25)21-9-13-24(14-10-21)30-29(32)28-8-4-6-23-5-2-3-7-27(23)28/h2-16,26H,17-20H2,1H3,(H,30,32)
InChIKeyKVQFGIVXKZFKDY-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.23
Rot. Bonds5

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

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide (PubChem CID 118063788) 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-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
PubChem CID118063788
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)cc2)CC1
InChIInChI=1S/C29H28N2O2/c1-31-19-17-26(18-20-31)33-25-15-11-22(12-16-25)21-9-13-24(14-10-21)30-29(32)28-8-4-6-23-5-2-3-7-27(23)28/h2-16,26H,17-20H2,1H3,(H,30,32)
InChIKeyKVQFGIVXKZFKDY-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

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Related Compounds

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
1-[(4-methylphenyl)methyl]-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]triazole-4-carboxamide
CID 122220147
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide (CID 118063788) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is KVQFGIVXKZFKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-31-19-17-26(18-20-31)33-25-15-11-22(12-16-25)21-9-13-24(14-10-21)30-29(32)28-8-4-6-23-5-2-3-7-27(23)28/h2-16,26H,17-20H2,1H3,(H,30,32).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-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-1-carboxamide is sourced from PubChem (CID 118063788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).