4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C15H29N3O2 — CID 81087000

IUPAC4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(CN)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(11-16)10-15(19)18-4-2-14(3-5-18)12-17-6-8-20-9-7-17/h13-14H,2-12,16H2,1H3
InChIKeyRVNHUZIPMMZICC-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.54
Rot. Bonds5

About 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 81087000) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID81087000
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(CN)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-13(11-16)10-15(19)18-4-2-14(3-5-18)12-17-6-8-20-9-7-17/h13-14H,2-12,16H2,1H3
InChIKeyRVNHUZIPMMZICC-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 81087000) is 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is CC(CN)CC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is RVNHUZIPMMZICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(11-16)10-15(19)18-4-2-14(3-5-18)12-17-6-8-20-9-7-17/h13-14H,2-12,16H2,1H3.
What are the key properties of 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 283.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 81087000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).