(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide

C9H19N3O — CID 82756259

IUPAC(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-10-6-8(12)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyJNSSJDMONTWVKK-QMMMGPOBSA-N
MW185.27 g/mol
LogP0.40
Rot. Bonds1

About (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide

(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82756259) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID82756259
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC[C@@H]1C
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-10-6-8(12)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyJNSSJDMONTWVKK-QMMMGPOBSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
CID 82756446
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide (CID 82756259) is (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JNSSJDMONTWVKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-9(13)12-5-4-10-6-8(12)3/h7-8,10H,4-6H2,1-3H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide?
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82756259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).