cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 114093101

IUPACcis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC(C)N1C
InChIInChI=1S/C14H24N2O3/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(6-11)14(18)19/h9-12H,4-8H2,1-3H3,(H,18,19)/t9?,10?,11-,12+/m1/s1
InChIKeyRRNFUOBWAGDWEZ-HCWSGVFWSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds2

About cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114093101) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114093101
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namecis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC(C)N1C
InChIInChI=1S/C14H24N2O3/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(6-11)14(18)19/h9-12H,4-8H2,1-3H3,(H,18,19)/t9?,10?,11-,12+/m1/s1
InChIKeyRRNFUOBWAGDWEZ-HCWSGVFWSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
(3-aminocyclopentyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536713
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
(3S,5R)-3,4,5-trimethylpiperazine-1-carboxylic acid
CID 68968098
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866
3-(3,4,5-trimethylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114543519
(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl chloride
CID 131028451

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114093101) is cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC(C)N1C.
What is the InChIKey of cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is RRNFUOBWAGDWEZ-HCWSGVFWSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-7-16(8-10(2)15(9)3)13(17)11-4-5-12(6-11)14(18)19/h9-12H,4-8H2,1-3H3,(H,18,19)/t9?,10?,11-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114093101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).