1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone

C15H27N3O2 — CID 138379482

IUPAC1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(CC(=O)N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-16-7-3-8-17(11-10-16)12-14(19)18-9-2-4-13(18)15(20)5-6-15/h13,20H,2-12H2,1H3
InChIKeyPIAXEUFBJSYMCW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.14
Rot. Bonds3

About 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone

1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone (PubChem CID 138379482) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
PubChem CID138379482
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
SMILESCN1CCCN(CC(=O)N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-16-7-3-8-17(11-10-16)12-14(19)18-9-2-4-13(18)15(20)5-6-15/h13,20H,2-12H2,1H3
InChIKeyPIAXEUFBJSYMCW-UHFFFAOYSA-N
XLogP0.14
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 138380490
1-[(4aS,8aS)-5-acetyl-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridin-1-yl]-2-piperidin-1-ylethanone
CID 110141479
1-[(4aS,8aR)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110133692
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-4-oxobutane-1-sulfonamide
CID 138381788
(1S,4R,8R)-9-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-4-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155501133
1-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 138808459
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone (CID 138379482) is 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone is CN1CCCN(CC(=O)N2CCCC2C2(O)CC2)CC1.
What is the InChIKey of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is PIAXEUFBJSYMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-16-7-3-8-17(11-10-16)12-14(19)18-9-2-4-13(18)15(20)5-6-15/h13,20H,2-12H2,1H3.
What are the key properties of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone?
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(4-methyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 138379482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).