N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide

C25H26N2O2 — CID 108554058

IUPACN-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C25H26N2O2/c28-24(14-13-19-7-2-1-3-8-19)27-17-15-21(16-18-27)26-25(29)23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21H,13-18H2,(H,26,29)
InChIKeyXYQTWWGDSDVWPC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.19
Rot. Bonds5

About N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide

N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554058) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554058
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C25H26N2O2/c28-24(14-13-19-7-2-1-3-8-19)27-17-15-21(16-18-27)26-25(29)23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21H,13-18H2,(H,26,29)
InChIKeyXYQTWWGDSDVWPC-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554022
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide (CID 108554058) is N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide is O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is XYQTWWGDSDVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-24(14-13-19-7-2-1-3-8-19)27-17-15-21(16-18-27)26-25(29)23-12-6-10-20-9-4-5-11-22(20)23/h1-12,21H,13-18H2,(H,26,29).
What are the key properties of N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).