N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide

C23H28ClN3O2 — CID 55923776

IUPACN-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)18-6-3-17(4-7-18)5-10-22(28)27-13-11-19(12-14-27)23(29)26-21-9-8-20(24)15-25-21/h3-4,6-9,15-16,19H,5,10-14H2,1-2H3,(H,25,26,29)
InChIKeyBUKBIFGOSRRETR-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.67
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 55923776) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID55923776
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)18-6-3-17(4-7-18)5-10-22(28)27-13-11-19(12-14-27)23(29)26-21-9-8-20(24)15-25-21/h3-4,6-9,15-16,19H,5,10-14H2,1-2H3,(H,25,26,29)
InChIKeyBUKBIFGOSRRETR-UHFFFAOYSA-N
XLogP4.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
CID 55931139
N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
CID 55924672
1-methyl-N-(5-propan-2-yl-2-pyridinyl)piperidine-4-carboxamide
CID 166707698
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
1-[4-(4-chlorophenyl)butanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930872
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55812910
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide (CID 55923776) is N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide is CC(C)c1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is BUKBIFGOSRRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16(2)18-6-3-17(4-7-18)5-10-22(28)27-13-11-19(12-14-27)23(29)26-21-9-8-20(24)15-25-21/h3-4,6-9,15-16,19H,5,10-14H2,1-2H3,(H,25,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).