(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride

C17H34ClN5O2 — CID 23540195

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl
InChIInChI=1S/C17H33N5O2.ClH/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20;/h15-16H,2-14,18H2,1H3;1H/t16-;/m1./s1
InChIKeyUHVHKQKDBVCODS-PKLMIRHRSA-N
MW375.95 g/mol
LogP-0.69
Rot. Bonds4

About (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 23540195) has the molecular formula C17H34ClN5O2 and a molecular weight of 375.95 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID23540195
Molecular FormulaC17H34ClN5O2
Molecular Weight375.95 g/mol
Exact Mass375.24
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl
InChIInChI=1S/C17H33N5O2.ClH/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20;/h15-16H,2-14,18H2,1H3;1H/t16-;/m1./s1
InChIKeyUHVHKQKDBVCODS-PKLMIRHRSA-N
XLogP-0.69
TPSA65.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride (CID 23540195) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride is CN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is UHVHKQKDBVCODS-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H33N5O2.ClH/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20;/h15-16H,2-14,18H2,1H3;1H/t16-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 375.95 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 23540195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).