(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide

C12H21N3O2 — CID 124992011

IUPAC(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
SMILESCN1CCN(C(=O)C2CCCC2)C[C@H]1C(N)=O
InChIInChI=1S/C12H21N3O2/c1-14-6-7-15(8-10(14)11(13)16)12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,13,16)/t10-/m0/s1
InChIKeyPNGYBPUPBXQFOV-JTQLQIEISA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds2

About (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide

(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide (PubChem CID 124992011) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
PubChem CID124992011
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
SMILESCN1CCN(C(=O)C2CCCC2)C[C@H]1C(N)=O
InChIInChI=1S/C12H21N3O2/c1-14-6-7-15(8-10(14)11(13)16)12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,13,16)/t10-/m0/s1
InChIKeyPNGYBPUPBXQFOV-JTQLQIEISA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
(2R)-4-(4-hydroxycyclohexanecarbonyl)-1-methylpiperazine-2-carboxylic acid
CID 98265692
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide (CID 124992011) is (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide is CN1CCN(C(=O)C2CCCC2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide?
The InChIKey is PNGYBPUPBXQFOV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-6-7-15(8-10(14)11(13)16)12(17)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,13,16)/t10-/m0/s1.
What are the key properties of (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide?
(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124992011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).