1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one

C19H33N3O3 — CID 137344927

IUPAC1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCC(CCC(=O)N1CCCN(C(=O)C2(C)CC2)CC1)N1CCOCC1
InChIInChI=1S/C19H33N3O3/c1-16(20-12-14-25-15-13-20)4-5-17(23)21-8-3-9-22(11-10-21)18(24)19(2)6-7-19/h16H,3-15H2,1-2H3
InChIKeyLKPAFPJFXATWNN-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.35
Rot. Bonds5

About 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one

1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one (PubChem CID 137344927) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one
PubChem CID137344927
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCC(CCC(=O)N1CCCN(C(=O)C2(C)CC2)CC1)N1CCOCC1
InChIInChI=1S/C19H33N3O3/c1-16(20-12-14-25-15-13-20)4-5-17(23)21-8-3-9-22(11-10-21)18(24)19(2)6-7-19/h16H,3-15H2,1-2H3
InChIKeyLKPAFPJFXATWNN-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one with MolForge

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Related Compounds

1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
CID 46979836
4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
CID 91830644
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 91839686
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylpentan-1-one
CID 91785686
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
(4S)-4-acetamido-5-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-oxopentanamide
CID 137338138
methanesulfonic acid;3-morpholin-4-ylbutan-1-ol
CID 86743263
4-(1,4-oxazepan-4-yl)pentan-2-one
CID 64696480
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
4-hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
3-morpholin-4-ylbutyl methanesulfonate
CID 54519605

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one?
The IUPAC name of 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one (CID 137344927) is 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one is CC(CCC(=O)N1CCCN(C(=O)C2(C)CC2)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one?
The InChIKey is LKPAFPJFXATWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-16(20-12-14-25-15-13-20)4-5-17(23)21-8-3-9-22(11-10-21)18(24)19(2)6-7-19/h16H,3-15H2,1-2H3.
What are the key properties of 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one?
1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one has a molecular weight of 351.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 137344927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).