(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one

C19H36N4O — CID 69329690

IUPAC(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16/h16-17H,3-15,20H2,1-2H3/t19-/m0/s1
InChIKeyIZOFYPZKZJOJLJ-IBGZPJMESA-N
MW336.52 g/mol
LogP1.73
Rot. Bonds3

About (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one

(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one (PubChem CID 69329690) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one
PubChem CID69329690
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16/h16-17H,3-15,20H2,1-2H3/t19-/m0/s1
InChIKeyIZOFYPZKZJOJLJ-IBGZPJMESA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one (CID 69329690) is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one is CN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCCCC3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one?
The InChIKey is IZOFYPZKZJOJLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H36N4O/c1-19(20,23-10-4-3-5-11-23)18(24)22-14-8-17(9-15-22)16-6-12-21(2)13-7-16/h16-17H,3-15,20H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one?
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one has a molecular weight of 336.52 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 69329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).