(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C15H29N3O3 — CID 124621251

IUPAC(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C15H29N3O3/c1-12(19)11-17-5-7-18(8-6-17)13(2)15(20)16-10-14-4-3-9-21-14/h12-14,19H,3-11H2,1-2H3,(H,16,20)/t12-,13+,14+/m0/s1
InChIKeyUWYPSCRPYBWNGY-BFHYXJOUSA-N
MW299.42 g/mol
LogP-0.33
Rot. Bonds6

About (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 124621251) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID124621251
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C15H29N3O3/c1-12(19)11-17-5-7-18(8-6-17)13(2)15(20)16-10-14-4-3-9-21-14/h12-14,19H,3-11H2,1-2H3,(H,16,20)/t12-,13+,14+/m0/s1
InChIKeyUWYPSCRPYBWNGY-BFHYXJOUSA-N
XLogP-0.33
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95340624
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 124621251) is (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@H](O)CN1CCN([C@H](C)C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is UWYPSCRPYBWNGY-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(19)11-17-5-7-18(8-6-17)13(2)15(20)16-10-14-4-3-9-21-14/h12-14,19H,3-11H2,1-2H3,(H,16,20)/t12-,13+,14+/m0/s1.
What are the key properties of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 299.42 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 124621251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).