(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C15H24N2O3 — CID 30074322

IUPAC(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCCN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-2-7-16-8-10-17(11-9-16)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,12-13H,2,5-11H2,1H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyZORPCRXVCCHBGP-OLZOCXBDSA-N
MW280.37 g/mol
LogP1.21
Rot. Bonds4

About (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 30074322) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID30074322
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCCN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-2-7-16-8-10-17(11-9-16)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,12-13H,2,5-11H2,1H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyZORPCRXVCCHBGP-OLZOCXBDSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
(1R,6R)-6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124721960
(1S,6R)-6-(piperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 34173784
2,2-dimethyl-3-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 64837448
(1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6979724
4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511446
3-(4-propylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43346063
(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457
5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
6-[3-(hydroxymethyl)azetidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214663

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 30074322) is (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is CCCN1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZORPCRXVCCHBGP-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-7-16-8-10-17(11-9-16)14(18)12-5-3-4-6-13(12)15(19)20/h3-4,12-13H,2,5-11H2,1H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 30074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).