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

C19H36N4O — CID 91082020

IUPAC(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-19(20,16-6-4-3-5-7-16)18(24)23-14-12-22(13-15-23)17-8-10-21(2)11-9-17/h16-17H,3-15,20H2,1-2H3/t19-/m1/s1
InChIKeyKAXDCCRVMHPJSP-LJQANCHMSA-N
MW336.52 g/mol
LogP1.52
Rot. Bonds3

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

(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 91082020) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID91082020
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-19(20,16-6-4-3-5-7-16)18(24)23-14-12-22(13-15-23)17-8-10-21(2)11-9-17/h16-17H,3-15,20H2,1-2H3/t19-/m1/s1
InChIKeyKAXDCCRVMHPJSP-LJQANCHMSA-N
XLogP1.52
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one (CID 91082020) is (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is CN1CCC(N2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is KAXDCCRVMHPJSP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H36N4O/c1-19(20,16-6-4-3-5-7-16)18(24)23-14-12-22(13-15-23)17-8-10-21(2)11-9-17/h16-17H,3-15,20H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 336.52 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 91082020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).