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

C18H34N4O2 — CID 69329682

IUPAC(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(19,22-11-13-24-14-12-22)17(23)21-9-5-16(6-10-21)15-3-7-20(2)8-4-15/h15-16H,3-14,19H2,1-2H3/t18-/m0/s1
InChIKeyCFAWOVWESRRPEF-SFHVURJKSA-N
MW338.50 g/mol
LogP0.57
Rot. Bonds3

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

(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 69329682) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID69329682
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(19,22-11-13-24-14-12-22)17(23)21-9-5-16(6-10-21)15-3-7-20(2)8-4-15/h15-16H,3-14,19H2,1-2H3/t18-/m0/s1
InChIKeyCFAWOVWESRRPEF-SFHVURJKSA-N
XLogP0.57
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 69329682) is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is CN1CCC(C2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is CFAWOVWESRRPEF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-18(19,22-11-13-24-14-12-22)17(23)21-9-5-16(6-10-21)15-3-7-20(2)8-4-15/h15-16H,3-14,19H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 338.50 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69329682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).