[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone

C13H21N3O — CID 93375251

IUPAC[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C13H21N3O/c1-2-7-15-8-10-16(11-9-15)13(17)12-5-3-4-6-14-12/h1,12,14H,3-11H2/t12-/m1/s1
InChIKeyZPKOKUGLJNTOGB-GFCCVEGCSA-N
MW235.33 g/mol
LogP-0.09
Rot. Bonds2

About [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone

[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 93375251) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID93375251
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C13H21N3O/c1-2-7-15-8-10-16(11-9-15)13(17)12-5-3-4-6-14-12/h1,12,14H,3-11H2/t12-/m1/s1
InChIKeyZPKOKUGLJNTOGB-GFCCVEGCSA-N
XLogP-0.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259978
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 93375251) is [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is ZPKOKUGLJNTOGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-7-15-8-10-16(11-9-15)13(17)12-5-3-4-6-14-12/h1,12,14H,3-11H2/t12-/m1/s1.
What are the key properties of [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 93375251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).