3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

C18H27N5O2 — CID 131928797

IUPAC3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H27N5O2/c24-16(8-13-22-11-3-1-2-7-17(22)25)21-15-6-4-12-23(14-15)18-19-9-5-10-20-18/h5,9-10,15H,1-4,6-8,11-14H2,(H,21,24)
InChIKeyKHWJBGLZDVQRIG-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.35
Rot. Bonds5

About 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (PubChem CID 131928797) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
PubChem CID131928797
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H27N5O2/c24-16(8-13-22-11-3-1-2-7-17(22)25)21-15-6-4-12-23(14-15)18-19-9-5-10-20-18/h5,9-10,15H,1-4,6-8,11-14H2,(H,21,24)
InChIKeyKHWJBGLZDVQRIG-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (CID 131928797) is 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is O=C(CCN1CCCCCC1=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The InChIKey is KHWJBGLZDVQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16(8-13-22-11-3-1-2-7-17(22)25)21-15-6-4-12-23(14-15)18-19-9-5-10-20-18/h5,9-10,15H,1-4,6-8,11-14H2,(H,21,24).
What are the key properties of 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide has a molecular weight of 345.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 131928797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).