N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide

C23H24N2O2 — CID 97427824

IUPACN-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)C1
InChIInChI=1S/C23H24N2O2/c1-27-20-8-5-15-25(16-20)19-13-11-18(12-14-19)24-23(26)22-10-4-7-17-6-2-3-9-21(17)22/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyYJPKLGPLFPSZBM-FQEVSTJZSA-N
MW360.46 g/mol
LogP4.71
Rot. Bonds4

About N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide

N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 97427824) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
PubChem CID97427824
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCO[C@H]1CCCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)C1
InChIInChI=1S/C23H24N2O2/c1-27-20-8-5-15-25(16-20)19-13-11-18(12-14-19)24-23(26)22-10-4-7-17-6-2-3-9-21(17)22/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyYJPKLGPLFPSZBM-FQEVSTJZSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide (CID 97427824) is N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide is CO[C@H]1CCCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)C1.
What is the InChIKey of N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is YJPKLGPLFPSZBM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-20-8-5-15-25(16-20)19-13-11-18(12-14-19)24-23(26)22-10-4-7-17-6-2-3-9-21(17)22/h2-4,6-7,9-14,20H,5,8,15-16H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97427824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).