1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide

C18H26N4O3 — CID 47026893

IUPAC1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(=O)NC(C(=O)N1CCC(C(=O)Nc2ccncc2)CC1)C(C)C
InChIInChI=1S/C18H26N4O3/c1-12(2)16(20-13(3)23)18(25)22-10-6-14(7-11-22)17(24)21-15-4-8-19-9-5-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyXLVBUUIZLXLJMP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide

1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 47026893) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID47026893
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(=O)NC(C(=O)N1CCC(C(=O)Nc2ccncc2)CC1)C(C)C
InChIInChI=1S/C18H26N4O3/c1-12(2)16(20-13(3)23)18(25)22-10-6-14(7-11-22)17(24)21-15-4-8-19-9-5-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyXLVBUUIZLXLJMP-UHFFFAOYSA-N
XLogP1.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
methyl N-[(2S)-1-[(3S)-3-[[4-(4-acetamidophenyl)phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58185408
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
1-(2-acetamido-2-cyclopentylacetyl)-N-phenylpiperidine-4-carboxamide
CID 51272766
N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
CID 97281199
1-[(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]-N-phenylpiperidine-4-carboxamide
CID 41367937
(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
CID 51727369
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
1-[(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499804
ethyl 4-oxo-4-[4-(pyridin-4-ylcarbamoyl)piperidin-1-yl]butanoate
CID 139642128
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide (CID 47026893) is 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide is CC(=O)NC(C(=O)N1CCC(C(=O)Nc2ccncc2)CC1)C(C)C.
What is the InChIKey of 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is XLVBUUIZLXLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(2)16(20-13(3)23)18(25)22-10-6-14(7-11-22)17(24)21-15-4-8-19-9-5-15/h4-5,8-9,12,14,16H,6-7,10-11H2,1-3H3,(H,20,23)(H,19,21,24).
What are the key properties of 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide?
1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-3-methylbutanoyl)-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47026893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).