(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one

C19H36N4O — CID 91040267

IUPAC(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](NC1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16(20-17-6-4-3-5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21(2)11-9-18/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1
InChIKeySYIAOPMYKVJIGE-MRXNPFEDSA-N
MW336.52 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one

(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 91040267) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID91040267
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](NC1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-16(20-17-6-4-3-5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21(2)11-9-18/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1
InChIKeySYIAOPMYKVJIGE-MRXNPFEDSA-N
XLogP1.54
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-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

2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (CID 91040267) is (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is C[C@@H](NC1CCCCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SYIAOPMYKVJIGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H36N4O/c1-16(20-17-6-4-3-5-7-17)19(24)23-14-12-22(13-15-23)18-8-10-21(2)11-9-18/h16-18,20H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 336.52 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91040267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).