N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C13H26N4O2 — CID 82704951

IUPACN-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C13H26N4O2/c1-10(2)4-5-15-13(19)16-12(18)9-17-7-6-14-8-11(17)3/h10-11,14H,4-9H2,1-3H3,(H2,15,16,18,19)/t11-/m0/s1
InChIKeyDYHPOWFWLTWULE-NSHDSACASA-N
MW270.38 g/mol
LogP0.15
Rot. Bonds5

About N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82704951) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82704951
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCNC[C@@H]1C
InChIInChI=1S/C13H26N4O2/c1-10(2)4-5-15-13(19)16-12(18)9-17-7-6-14-8-11(17)3/h10-11,14H,4-9H2,1-3H3,(H2,15,16,18,19)/t11-/m0/s1
InChIKeyDYHPOWFWLTWULE-NSHDSACASA-N
XLogP0.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673671
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-(2-methylpiperazin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide;hydrochloride
CID 119916484
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
2-[1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684137
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82704951) is N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is CC(C)CCNC(=O)NC(=O)CN1CCNC[C@@H]1C.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is DYHPOWFWLTWULE-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(2)4-5-15-13(19)16-12(18)9-17-7-6-14-8-11(17)3/h10-11,14H,4-9H2,1-3H3,(H2,15,16,18,19)/t11-/m0/s1.
What are the key properties of N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82704951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).