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

C27H25N3O2 — CID 59850978

IUPACN-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESNc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1
InChIInChI=1S/C27H25N3O2/c28-23-16-21-7-3-4-8-24(21)25(17-23)29-26(31)19-11-13-30(14-12-19)27(32)22-10-9-18-5-1-2-6-20(18)15-22/h1-10,15-17,19H,11-14,28H2,(H,29,31)
InChIKeyDDLOWZKNDNNCND-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.07
Rot. Bonds3

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

N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 59850978) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
PubChem CID59850978
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESNc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1
InChIInChI=1S/C27H25N3O2/c28-23-16-21-7-3-4-8-24(21)25(17-23)29-26(31)19-11-13-30(14-12-19)27(32)22-10-9-18-5-1-2-6-20(18)15-22/h1-10,15-17,19H,11-14,28H2,(H,29,31)
InChIKeyDDLOWZKNDNNCND-UHFFFAOYSA-N
XLogP5.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 120568951
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
CID 18734987
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265

Frequently Asked Questions

What is the IUPAC name of N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (CID 59850978) is N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is Nc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1.
What is the InChIKey of N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is DDLOWZKNDNNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c28-23-16-21-7-3-4-8-24(21)25(17-23)29-26(31)19-11-13-30(14-12-19)27(32)22-10-9-18-5-1-2-6-20(18)15-22/h1-10,15-17,19H,11-14,28H2,(H,29,31).
What are the key properties of N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 59850978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).