4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone

C17H28N4O4 — CID 175756843

IUPAC4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCNCC1.O=C(O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H14N2O3.C8H14N2O/c12-8(7-1-2-7)10-3-5-11(6-4-10)9(13)14;11-8(7-1-2-7)10-5-3-9-4-6-10/h7H,1-6H2,(H,13,14);7,9H,1-6H2
InChIKeyDHKNJVGGTMFARL-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.05
Rot. Bonds2

About 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone

4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone (PubChem CID 175756843) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
PubChem CID175756843
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCNCC1.O=C(O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H14N2O3.C8H14N2O/c12-8(7-1-2-7)10-3-5-11(6-4-10)9(13)14;11-8(7-1-2-7)10-5-3-9-4-6-10/h7H,1-6H2,(H,13,14);7,9H,1-6H2
InChIKeyDHKNJVGGTMFARL-UHFFFAOYSA-N
XLogP0.05
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
[4,8-bis(cyclohexanecarbonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-cyclohexylmethanone;cycloheptanecarbaldehyde
CID 142113322
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone?
The IUPAC name of 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone (CID 175756843) is 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone.
What is the SMILES notation for 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone?
The canonical SMILES for 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone is O=C(C1CC1)N1CCNCC1.O=C(O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone?
The InChIKey is DHKNJVGGTMFARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3.C8H14N2O/c12-8(7-1-2-7)10-3-5-11(6-4-10)9(13)14;11-8(7-1-2-7)10-5-3-9-4-6-10/h7H,1-6H2,(H,13,14);7,9H,1-6H2.
What are the key properties of 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone?
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone is sourced from PubChem (CID 175756843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).