4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one

C15H24N4O — CID 3896897

IUPAC4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
SMILESCCN1CCCCC1c1[nH]c(=O)nc2c1CCCCN2
InChIInChI=1S/C15H24N4O/c1-2-19-10-6-4-8-12(19)13-11-7-3-5-9-16-14(11)18-15(20)17-13/h12H,2-10H2,1H3,(H2,16,17,18,20)
InChIKeySNMXOBFOXRROGF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds2

About 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one

4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one (PubChem CID 3896897) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one.

Molecular Properties

Compound Name4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
PubChem CID3896897
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
SMILESCCN1CCCCC1c1[nH]c(=O)nc2c1CCCCN2
InChIInChI=1S/C15H24N4O/c1-2-19-10-6-4-8-12(19)13-11-7-3-5-9-16-14(11)18-15(20)17-13/h12H,2-10H2,1H3,(H2,16,17,18,20)
InChIKeySNMXOBFOXRROGF-UHFFFAOYSA-N
XLogP2.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one with MolForge

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Related Compounds

4-(1-Methylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3301323
4-(1-Methylpiperidin-3-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3304687
4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3306550
4-(Piperidin-1-ylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447840
4-(1-Methylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepine-2-thione
CID 3500810
4-(1-Ethylpiperidin-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504390
4-Pentan-3-yl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3570185
4-(1-Ethylpiperidin-4-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3692683
4-(Piperidin-1-ylmethyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3960337
4-(1-Ethylpiperidin-3-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3972999
4-(1-Methylpiperidin-4-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 4025000
4-(2-Piperidin-1-ylethyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 4044755

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one?
The IUPAC name of 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one (CID 3896897) is 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one.
What is the SMILES notation for 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one?
The canonical SMILES for 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one is CCN1CCCCC1c1[nH]c(=O)nc2c1CCCCN2.
What is the InChIKey of 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one?
The InChIKey is SNMXOBFOXRROGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-19-10-6-4-8-12(19)13-11-7-3-5-9-16-14(11)18-15(20)17-13/h12H,2-10H2,1H3,(H2,16,17,18,20).
What are the key properties of 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one?
4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-2-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one is sourced from PubChem (CID 3896897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).