N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide

C23H21ClN2O2 — CID 154699440

IUPACN-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)
InChIKeyPBXCPFNNNZUANE-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.98
Rot. Bonds3

About N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 154699440) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
PubChem CID154699440
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)
InChIKeyPBXCPFNNNZUANE-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (CID 154699440) is N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PBXCPFNNNZUANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 154699440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).