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

C17H33N5O2 — CID 69329124

IUPAC(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m0/s1
InChIKeyQQBFABCIFWOLOJ-KRWDZBQOSA-N
MW339.48 g/mol
LogP-0.77
Rot. Bonds3

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

(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 69329124) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID69329124
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m0/s1
InChIKeyQQBFABCIFWOLOJ-KRWDZBQOSA-N
XLogP-0.77
TPSA65.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 69329124) is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is CN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is QQBFABCIFWOLOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 339.48 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 69329124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).