1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide

C18H24N4O3 — CID 124964784

IUPAC1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CC(C(N)=O)C3)c2)C1
InChIInChI=1S/C18H24N4O3/c1-12(23)21-4-2-3-13(9-21)5-14-6-15(8-20-7-14)18(25)22-10-16(11-22)17(19)24/h6-8,13,16H,2-5,9-11H2,1H3,(H2,19,24)/t13-/m0/s1
InChIKeyIABFAVSGPMSIPE-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.44
Rot. Bonds4

About 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide

1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide (PubChem CID 124964784) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide
PubChem CID124964784
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CC(C(N)=O)C3)c2)C1
InChIInChI=1S/C18H24N4O3/c1-12(23)21-4-2-3-13(9-21)5-14-6-15(8-20-7-14)18(25)22-10-16(11-22)17(19)24/h6-8,13,16H,2-5,9-11H2,1H3,(H2,19,24)/t13-/m0/s1
InChIKeyIABFAVSGPMSIPE-ZDUSSCGKSA-N
XLogP0.44
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939
1-[(3S)-3-[(5-phenyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95825281
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
1-[4-[(5-bromo-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 66509839
1-[4-[5-(piperidine-1-carbonyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109102845
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63852069
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide?
The IUPAC name of 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide (CID 124964784) is 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide is CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CC(C(N)=O)C3)c2)C1.
What is the InChIKey of 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide?
The InChIKey is IABFAVSGPMSIPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(23)21-4-2-3-13(9-21)5-14-6-15(8-20-7-14)18(25)22-10-16(11-22)17(19)24/h6-8,13,16H,2-5,9-11H2,1H3,(H2,19,24)/t13-/m0/s1.
What are the key properties of 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide?
1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridine-3-carbonyl]azetidine-3-carboxamide is sourced from PubChem (CID 124964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).