N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C27H31N3O2 — CID 46581827

IUPACN-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-3-29(4-2)23-14-12-22(13-15-23)28-26(31)21-16-18-30(19-17-21)27(32)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,21H,3-4,16-19H2,1-2H3,(H,28,31)
InChIKeyOELYFCYBVXRUSG-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.18
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 46581827) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID46581827
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-3-29(4-2)23-14-12-22(13-15-23)28-26(31)21-16-18-30(19-17-21)27(32)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,21H,3-4,16-19H2,1-2H3,(H,28,31)
InChIKeyOELYFCYBVXRUSG-UHFFFAOYSA-N
XLogP5.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.18
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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Related Compounds

1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
N-[4-(diethylamino)phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39126265
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55456894

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 46581827) is N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is OELYFCYBVXRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-3-29(4-2)23-14-12-22(13-15-23)28-26(31)21-16-18-30(19-17-21)27(32)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,21H,3-4,16-19H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46581827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).