(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide

C10H21N3O — CID 82756446

IUPAC(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-8-7-11-5-6-13(8)9(14)12-10(2,3)4/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m0/s1
InChIKeyQUGLHRDNRMZAJS-QMMMGPOBSA-N
MW199.30 g/mol
LogP0.79
Rot. Bonds

About (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide

(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide (PubChem CID 82756446) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
PubChem CID82756446
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-8-7-11-5-6-13(8)9(14)12-10(2,3)4/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m0/s1
InChIKeyQUGLHRDNRMZAJS-QMMMGPOBSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
1-tert-butyl-3-[4-chloro-3-(2-methylpiperazine-1-carbonyl)phenyl]urea
CID 119470828
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide (CID 82756446) is (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide is C[C@H]1CNCCN1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide?
The InChIKey is QUGLHRDNRMZAJS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-7-11-5-6-13(8)9(14)12-10(2,3)4/h8,11H,5-7H2,1-4H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide?
(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 82756446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).