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

C27H24N2O2 — CID 108554043

IUPACN-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c30-26(24-13-5-9-19-7-1-3-11-22(19)24)28-21-15-17-29(18-16-21)27(31)25-14-6-10-20-8-2-4-12-23(20)25/h1-14,21H,15-18H2,(H,28,30)
InChIKeyKPEJKVQPGUTEER-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.03
Rot. Bonds3

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

N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554043) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554043
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12
InChIInChI=1S/C27H24N2O2/c30-26(24-13-5-9-19-7-1-3-11-22(19)24)28-21-15-17-29(18-16-21)27(31)25-14-6-10-20-8-2-4-12-23(20)25/h1-14,21H,15-18H2,(H,28,30)
InChIKeyKPEJKVQPGUTEER-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
3,4-dichloro-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549016
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554022
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide (CID 108554043) is N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide is O=C(NC1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is KPEJKVQPGUTEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-26(24-13-5-9-19-7-1-3-11-22(19)24)28-21-15-17-29(18-16-21)27(31)25-14-6-10-20-8-2-4-12-23(20)25/h1-14,21H,15-18H2,(H,28,30).
What are the key properties of N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).