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

C20H37N3O — CID 91173191

IUPAC(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-20(21,18-6-4-3-5-7-18)19(24)23-14-10-17(11-15-23)16-8-12-22(2)13-9-16/h16-18H,3-15,21H2,1-2H3/t20-/m1/s1
InChIKeyYFCKPOQULKOOQJ-HXUWFJFHSA-N
MW335.54 g/mol
LogP2.86
Rot. Bonds3

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

(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 91173191) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID91173191
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-20(21,18-6-4-3-5-7-18)19(24)23-14-10-17(11-15-23)16-8-12-22(2)13-9-16/h16-18H,3-15,21H2,1-2H3/t20-/m1/s1
InChIKeyYFCKPOQULKOOQJ-HXUWFJFHSA-N
XLogP2.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 91173191) is (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is CN1CCC(C2CCN(C(=O)[C@](C)(N)C3CCCCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YFCKPOQULKOOQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H37N3O/c1-20(21,18-6-4-3-5-7-18)19(24)23-14-10-17(11-15-23)16-8-12-22(2)13-9-16/h16-18H,3-15,21H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 335.54 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).