1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide

C8H17N3O2 — CID 106933554

IUPAC1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
SMILESC[C@H](O)CN1CCNCC1C(N)=O
InChIInChI=1S/C8H17N3O2/c1-6(12)5-11-3-2-10-4-7(11)8(9)13/h6-7,10,12H,2-5H2,1H3,(H2,9,13)/t6-,7?/m0/s1
InChIKeyQFFCVZSEPVVMEA-PKPIPKONSA-N
MW187.24 g/mol
LogP-1.87
Rot. Bonds3

About 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide

1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide (PubChem CID 106933554) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
PubChem CID106933554
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
SMILESC[C@H](O)CN1CCNCC1C(N)=O
InChIInChI=1S/C8H17N3O2/c1-6(12)5-11-3-2-10-4-7(11)8(9)13/h6-7,10,12H,2-5H2,1H3,(H2,9,13)/t6-,7?/m0/s1
InChIKeyQFFCVZSEPVVMEA-PKPIPKONSA-N
XLogP-1.87
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-(2,2-diethoxyethyl)piperazine-2-carboxamide
CID 81093010
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-[(5-methyl-3-pyridinyl)methyl]piperazine-2-carboxamide
CID 102877783
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
1-[[4-(difluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 115524644
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide (CID 106933554) is 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide is C[C@H](O)CN1CCNCC1C(N)=O.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide?
The InChIKey is QFFCVZSEPVVMEA-PKPIPKONSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(12)5-11-3-2-10-4-7(11)8(9)13/h6-7,10,12H,2-5H2,1H3,(H2,9,13)/t6-,7?/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide?
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide is sourced from PubChem (CID 106933554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).