N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide

C22H23ClN4O2 — CID 55930887

IUPACN-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCn2ccc3ccccc32)C1
InChIInChI=1S/C22H23ClN4O2/c23-18-7-8-20(24-14-18)25-22(29)17-5-3-11-27(15-17)21(28)10-13-26-12-9-16-4-1-2-6-19(16)26/h1-2,4,6-9,12,14,17H,3,5,10-11,13,15H2,(H,24,25,29)
InChIKeyDWOGTSDCNVSZTQ-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.96
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide (PubChem CID 55930887) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
PubChem CID55930887
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCn2ccc3ccccc32)C1
InChIInChI=1S/C22H23ClN4O2/c23-18-7-8-20(24-14-18)25-22(29)17-5-3-11-27(15-17)21(28)10-13-26-12-9-16-4-1-2-6-19(16)26/h1-2,4,6-9,12,14,17H,3,5,10-11,13,15H2,(H,24,25,29)
InChIKeyDWOGTSDCNVSZTQ-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
CID 55930625
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55924665
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide (CID 55930887) is N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)CCn2ccc3ccccc32)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide?
The InChIKey is DWOGTSDCNVSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-18-7-8-20(24-14-18)25-22(29)17-5-3-11-27(15-17)21(28)10-13-26-12-9-16-4-1-2-6-19(16)26/h1-2,4,6-9,12,14,17H,3,5,10-11,13,15H2,(H,24,25,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55930887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).