N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide

C21H22ClN3O — CID 24612421

IUPACN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O/c1-14-6-7-16(12-19(14)22)24-21(26)25-10-8-15(9-11-25)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,26)
InChIKeyYYIOMNYPDUYMNE-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.54
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide (PubChem CID 24612421) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
PubChem CID24612421
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O/c1-14-6-7-16(12-19(14)22)24-21(26)25-10-8-15(9-11-25)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,26)
InChIKeyYYIOMNYPDUYMNE-UHFFFAOYSA-N
XLogP5.54
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 11656398
4-[2-acetamido-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
CID 159998443
4-[2,2-dihydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 143208558
N-(3,4-dichlorophenyl)-4-[2-formamido-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxamide
CID 159171557
2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 58617703
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
2-[1-[(2,4-dichlorophenyl)carbamoyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 58617664
2-[1-[(3,4-dichlorophenyl)carbamoyl]piperidin-4-yl]-2-[4-(6-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 11599344
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide (CID 24612421) is N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide?
The InChIKey is YYIOMNYPDUYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-14-6-7-16(12-19(14)22)24-21(26)25-10-8-15(9-11-25)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 24612421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).