cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride

C13H22ClN3O2 — CID 71888790

IUPACcyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C13H21N3O2.ClH/c17-12(10-3-4-10)15-6-8-16(9-7-15)13(18)11-2-1-5-14-11;/h10-11,14H,1-9H2;1H/t11-;/m0./s1
InChIKeyNTPDASBIRWGQOG-MERQFXBCSA-N
MW287.79 g/mol
LogP0.24
Rot. Bonds2

About cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride

cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 71888790) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID71888790
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Namecyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C13H21N3O2.ClH/c17-12(10-3-4-10)15-6-8-16(9-7-15)13(18)11-2-1-5-14-11;/h10-11,14H,1-9H2;1H/t11-;/m0./s1
InChIKeyNTPDASBIRWGQOG-MERQFXBCSA-N
XLogP0.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carbaldehyde;hydrochloride
CID 175528079
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride (CID 71888790) is cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC1)N1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is NTPDASBIRWGQOG-MERQFXBCSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c17-12(10-3-4-10)15-6-8-16(9-7-15)13(18)11-2-1-5-14-11;/h10-11,14H,1-9H2;1H/t11-;/m0./s1.
What are the key properties of cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride?
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71888790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).