N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide

C13H25N3O3 — CID 95613274

IUPACN-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)CCNC(C)=O)CC1
InChIInChI=1S/C13H25N3O3/c1-3-12(18)10-15-6-8-16(9-7-15)13(19)4-5-14-11(2)17/h12,18H,3-10H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyFTBLLSOYKBMYIZ-LBPRGKRZSA-N
MW271.36 g/mol
LogP-0.57
Rot. Bonds6

About N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide

N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 95613274) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID95613274
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC[C@H](O)CN1CCN(C(=O)CCNC(C)=O)CC1
InChIInChI=1S/C13H25N3O3/c1-3-12(18)10-15-6-8-16(9-7-15)13(19)4-5-14-11(2)17/h12,18H,3-10H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyFTBLLSOYKBMYIZ-LBPRGKRZSA-N
XLogP-0.57
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 95340577
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95613223
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
N-[[5-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]thiophen-2-yl]methyl]acetamide
CID 95613180
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 95348965
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95340534
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 95613155

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide (CID 95613274) is N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide is CC[C@H](O)CN1CCN(C(=O)CCNC(C)=O)CC1.
What is the InChIKey of N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is FTBLLSOYKBMYIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-12(18)10-15-6-8-16(9-7-15)13(19)4-5-14-11(2)17/h12,18H,3-10H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide?
N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 95613274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).