N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C29H34N4O2 — CID 55456894

IUPACN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C29H34N4O2/c1-21-20-24(10-11-27(21)32-18-16-31(2)17-19-32)30-28(34)23-12-14-33(15-13-23)29(35)26-9-5-7-22-6-3-4-8-25(22)26/h3-11,20,23H,12-19H2,1-2H3,(H,30,34)
InChIKeyFLVSUDZUSLEWQH-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.39
Rot. Bonds4

About N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55456894) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55456894
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C29H34N4O2/c1-21-20-24(10-11-27(21)32-18-16-31(2)17-19-32)30-28(34)23-12-14-33(15-13-23)29(35)26-9-5-7-22-6-3-4-8-25(22)26/h3-11,20,23H,12-19H2,1-2H3,(H,30,34)
InChIKeyFLVSUDZUSLEWQH-UHFFFAOYSA-N
XLogP4.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 55610513
N-[4-(dimethylamino)-2-methylphenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55780129
N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55456894) is N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is FLVSUDZUSLEWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-21-20-24(10-11-27(21)32-18-16-31(2)17-19-32)30-28(34)23-12-14-33(15-13-23)29(35)26-9-5-7-22-6-3-4-8-25(22)26/h3-11,20,23H,12-19H2,1-2H3,(H,30,34).
What are the key properties of N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55456894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).