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

C8H16N4O2 — CID 104976909

IUPACN-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)NC(N)=O)CCN1
InChIInChI=1S/C8H16N4O2/c1-6-4-12(3-2-10-6)5-7(13)11-8(9)14/h6,10H,2-5H2,1H3,(H3,9,11,13,14)/t6-/m0/s1
InChIKeyTVFHJQGGQZSNMV-LURJTMIESA-N
MW200.24 g/mol
LogP-1.52
Rot. Bonds2

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

N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104976909) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104976909
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CN(CC(=O)NC(N)=O)CCN1
InChIInChI=1S/C8H16N4O2/c1-6-4-12(3-2-10-6)5-7(13)11-8(9)14/h6,10H,2-5H2,1H3,(H3,9,11,13,14)/t6-/m0/s1
InChIKeyTVFHJQGGQZSNMV-LURJTMIESA-N
XLogP-1.52
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104976909) is N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide is C[C@H]1CN(CC(=O)NC(N)=O)CCN1.
What is the InChIKey of N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is TVFHJQGGQZSNMV-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N4O2/c1-6-4-12(3-2-10-6)5-7(13)11-8(9)14/h6,10H,2-5H2,1H3,(H3,9,11,13,14)/t6-/m0/s1.
What are the key properties of N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 200.24 g/mol, XLogP of -1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104976909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).