1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid

C12H21N3O3 — CID 82762890

IUPAC1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-9(12)14-11(18)15-7-5-13-6-8-15/h9,13H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRPSIYSMBIOYXAB-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.24
Rot. Bonds2

About 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762890) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID82762890
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-9(12)14-11(18)15-7-5-13-6-8-15/h9,13H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyRPSIYSMBIOYXAB-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
1-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103500550
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764153
2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 103357296
1-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765079
2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765853
3-methyl-4-(piperazine-1-carbonylamino)oxolane-3-carboxylic acid
CID 66248781
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid (CID 82762890) is 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)N1CCNCC1.
What is the InChIKey of 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RPSIYSMBIOYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-9(12)14-11(18)15-7-5-13-6-8-15/h9,13H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).