1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone

C16H32N4O — CID 60953267

IUPAC1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
SMILESCC(C)N(C)CC1CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)18(3)12-15-4-8-20(9-5-15)16(21)13-19-10-6-17-7-11-19/h14-15,17H,4-13H2,1-3H3
InChIKeyVOIMZEWRZSNHQT-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.47
Rot. Bonds5

About 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone

1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 60953267) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
PubChem CID60953267
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
SMILESCC(C)N(C)CC1CCN(C(=O)CN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)18(3)12-15-4-8-20(9-5-15)16(21)13-19-10-6-17-7-11-19/h14-15,17H,4-13H2,1-3H3
InChIKeyVOIMZEWRZSNHQT-UHFFFAOYSA-N
XLogP0.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone 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-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958133
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 64563073
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone (CID 60953267) is 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone is CC(C)N(C)CC1CCN(C(=O)CN2CCNCC2)CC1.
What is the InChIKey of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is VOIMZEWRZSNHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14(2)18(3)12-15-4-8-20(9-5-15)16(21)13-19-10-6-17-7-11-19/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone?
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 296.46 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 60953267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).