N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide

C22H24N4O2 — CID 51129960

IUPACN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-14-2-3-16-13-20(25-19(16)12-14)22(28)24-17-4-6-18(7-5-17)26-10-8-15(9-11-26)21(23)27/h2-7,12-13,15,25H,8-11H2,1H3,(H2,23,27)(H,24,28)
InChIKeyZKNVFYINBLXIRR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.43
Rot. Bonds4

About N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 51129960) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID51129960
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)[nH]c2c1
InChIInChI=1S/C22H24N4O2/c1-14-2-3-16-13-20(25-19(16)12-14)22(28)24-17-4-6-18(7-5-17)26-10-8-15(9-11-26)21(23)27/h2-7,12-13,15,25H,8-11H2,1H3,(H2,23,27)(H,24,28)
InChIKeyZKNVFYINBLXIRR-UHFFFAOYSA-N
XLogP3.43
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
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

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
6-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002788
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
6-tert-butyl-N-[4-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 56508501
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 169372256
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide (CID 51129960) is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)Nc3ccc(N4CCC(C(N)=O)CC4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is ZKNVFYINBLXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-2-3-16-13-20(25-19(16)12-14)22(28)24-17-4-6-18(7-5-17)26-10-8-15(9-11-26)21(23)27/h2-7,12-13,15,25H,8-11H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide?
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 51129960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).