(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one

C17H33N5O2 — CID 91231825

IUPAC(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
SMILESC[C@@H](NN1CCOCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-15(18-22-11-13-24-14-12-22)17(23)21-9-7-20(8-10-21)16-3-5-19(2)6-4-16/h15-16,18H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyIPIAKVPJHYWOME-OAHLLOKOSA-N
MW339.48 g/mol
LogP-0.55
Rot. Bonds4

About (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one

(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one (PubChem CID 91231825) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
PubChem CID91231825
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC Name(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
SMILESC[C@@H](NN1CCOCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-15(18-22-11-13-24-14-12-22)17(23)21-9-7-20(8-10-21)16-3-5-19(2)6-4-16/h15-16,18H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyIPIAKVPJHYWOME-OAHLLOKOSA-N
XLogP-0.55
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 23540195
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 23540196
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one;hydrochloride
CID 23540197
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(piperidin-1-ylamino)propan-1-one
CID 23540198
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 69329124
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one;hydrochloride
CID 69330719
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 90707121
(2R)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(morpholin-4-ylamino)propan-1-one
CID 90783541
1-[4-[4-(2-Morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 129178235
1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 141468089
1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone
CID 141468135
2-methyl-1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 141468226

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one?
The IUPAC name of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one (CID 91231825) is (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one?
The canonical SMILES for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one is C[C@@H](NN1CCOCC1)C(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one?
The InChIKey is IPIAKVPJHYWOME-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-15(18-22-11-13-24-14-12-22)17(23)21-9-7-20(8-10-21)16-3-5-19(2)6-4-16/h15-16,18H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one?
(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one has a molecular weight of 339.48 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(morpholin-4-ylamino)propan-1-one is sourced from PubChem (CID 91231825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).