N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide

C12H25N3O2 — CID 65049341

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
SMILESCOCC(NC(=O)CN1CCNCC1)C(C)C
InChIInChI=1S/C12H25N3O2/c1-10(2)11(9-17-3)14-12(16)8-15-6-4-13-5-7-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyIBGUJINMLHNTLX-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.32
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide

N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 65049341) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
PubChem CID65049341
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
SMILESCOCC(NC(=O)CN1CCNCC1)C(C)C
InChIInChI=1S/C12H25N3O2/c1-10(2)11(9-17-3)14-12(16)8-15-6-4-13-5-7-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyIBGUJINMLHNTLX-UHFFFAOYSA-N
XLogP-0.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627675
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 65048132
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide (CID 65049341) is N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide is COCC(NC(=O)CN1CCNCC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is IBGUJINMLHNTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)11(9-17-3)14-12(16)8-15-6-4-13-5-7-15/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide?
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 243.35 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 65049341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).