1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C25H31ClN4O3 — CID 55930502

IUPAC1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C25H31ClN4O3/c1-16(28-22(31)17-7-9-19(10-8-17)25(2,3)4)24(33)30-13-5-6-18(15-30)23(32)29-21-12-11-20(26)14-27-21/h7-12,14,16,18H,5-6,13,15H2,1-4H3,(H,28,31)(H,27,29,32)
InChIKeyWRNSAFBEXBGOMY-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.03
Rot. Bonds5

About 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55930502) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55930502
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C25H31ClN4O3/c1-16(28-22(31)17-7-9-19(10-8-17)25(2,3)4)24(33)30-13-5-6-18(15-30)23(32)29-21-12-11-20(26)14-27-21/h7-12,14,16,18H,5-6,13,15H2,1-4H3,(H,28,31)(H,27,29,32)
InChIKeyWRNSAFBEXBGOMY-UHFFFAOYSA-N
XLogP4.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 120798562
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485462
(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 99783486
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
CID 56505966

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 55930502) is 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is WRNSAFBEXBGOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-16(28-22(31)17-7-9-19(10-8-17)25(2,3)4)24(33)30-13-5-6-18(15-30)23(32)29-21-12-11-20(26)14-27-21/h7-12,14,16,18H,5-6,13,15H2,1-4H3,(H,28,31)(H,27,29,32).
What are the key properties of 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55930502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).