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

C17H34ClN5O2 — CID 69330719

IUPAC(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1.Cl
InChIInChI=1S/C17H33N5O2.ClH/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;1H/t17-;/m0./s1
InChIKeyHPKBUCYYDDPBDW-LMOVPXPDSA-N
MW375.95 g/mol
LogP-0.35
Rot. Bonds3

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

(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 69330719) has the molecular formula C17H34ClN5O2 and a molecular weight of 375.95 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID69330719
Molecular FormulaC17H34ClN5O2
Molecular Weight375.95 g/mol
Exact Mass375.24
IUPAC Name(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1.Cl
InChIInChI=1S/C17H33N5O2.ClH/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;1H/t17-;/m0./s1
InChIKeyHPKBUCYYDDPBDW-LMOVPXPDSA-N
XLogP-0.35
TPSA65.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 5-0.35
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;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride (CID 69330719) is (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride is CN1CCC(N2CCN(C(=O)[C@@](C)(N)N3CCOCC3)CC2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is HPKBUCYYDDPBDW-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H33N5O2.ClH/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;1H/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;hydrochloride?
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 375.95 g/mol, XLogP of -0.35, 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;hydrochloride is sourced from PubChem (CID 69330719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).