N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C26H29N3O2 — CID 55780129

IUPACN-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H29N3O2/c1-18-17-21(28(2)3)11-12-24(18)27-25(30)20-13-15-29(16-14-20)26(31)23-10-6-8-19-7-4-5-9-22(19)23/h4-12,17,20H,13-16H2,1-3H3,(H,27,30)
InChIKeyKACVLNIBMQDXMQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.71
Rot. Bonds4

About N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55780129) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55780129
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(N(C)C)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H29N3O2/c1-18-17-21(28(2)3)11-12-24(18)27-25(30)20-13-15-29(16-14-20)26(31)23-10-6-8-19-7-4-5-9-22(19)23/h4-12,17,20H,13-16H2,1-3H3,(H,27,30)
InChIKeyKACVLNIBMQDXMQ-UHFFFAOYSA-N
XLogP4.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
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-(2-fluoro-5-methylsulfonylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429991
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55456894
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55780129) is N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is KACVLNIBMQDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-17-21(28(2)3)11-12-24(18)27-25(30)20-13-15-29(16-14-20)26(31)23-10-6-8-19-7-4-5-9-22(19)23/h4-12,17,20H,13-16H2,1-3H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55780129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).