(2S)-2-methylpiperazine-1-carboxamide

C6H13N3O — CID 66855874

IUPAC(2S)-2-methylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(N)=O
InChIInChI=1S/C6H13N3O/c1-5-4-8-2-3-9(5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)/t5-/m0/s1
InChIKeyUVEBAABLKSICQC-YFKPBYRVSA-N
MW143.19 g/mol
LogP-0.64
Rot. Bonds

About (2S)-2-methylpiperazine-1-carboxamide

(2S)-2-methylpiperazine-1-carboxamide (PubChem CID 66855874) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methylpiperazine-1-carboxamide
PubChem CID66855874
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2S)-2-methylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(N)=O
InChIInChI=1S/C6H13N3O/c1-5-4-8-2-3-9(5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)/t5-/m0/s1
InChIKeyUVEBAABLKSICQC-YFKPBYRVSA-N
XLogP-0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2S)-2-methylpiperazine-1-carboxamide (CID 66855874) is (2S)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-methylpiperazine-1-carboxamide is C[C@H]1CNCCN1C(N)=O.
What is the InChIKey of (2S)-2-methylpiperazine-1-carboxamide?
The InChIKey is UVEBAABLKSICQC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5-4-8-2-3-9(5)6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)/t5-/m0/s1.
What are the key properties of (2S)-2-methylpiperazine-1-carboxamide?
(2S)-2-methylpiperazine-1-carboxamide has a molecular weight of 143.19 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 66855874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).