3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide

C13H27N3O2 — CID 95338932

IUPAC3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)14-13(18)4-5-15-6-8-16(9-7-15)10-12(3)17/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t12-/m1/s1
InChIKeyGRQMUWHQOMGIMH-GFCCVEGCSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds6

About 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide

3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 95338932) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID95338932
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)14-13(18)4-5-15-6-8-16(9-7-15)10-12(3)17/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t12-/m1/s1
InChIKeyGRQMUWHQOMGIMH-GFCCVEGCSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340321
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-propan-2-ylpropanamide
CID 103728301
3-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 110834607

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide (CID 95338932) is 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is GRQMUWHQOMGIMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)14-13(18)4-5-15-6-8-16(9-7-15)10-12(3)17/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t12-/m1/s1.
What are the key properties of 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 95338932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).