2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride

C15H28Cl2N4O2 — CID 119837819

IUPAC2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C15H26N4O2.2ClH/c1-2-6-17-14(20)12-18-8-10-19(11-9-18)15(21)13-5-3-4-7-16-13;;/h2,13,16H,1,3-12H2,(H,17,20);2*1H/t13-;;/m1../s1
InChIKeyNWFSULXGHLXPHM-FFXKMJQXSA-N
MW367.32 g/mol
LogP0.42
Rot. Bonds5

About 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride

2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (PubChem CID 119837819) has the molecular formula C15H28Cl2N4O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
PubChem CID119837819
Molecular FormulaC15H28Cl2N4O2
Molecular Weight367.32 g/mol
Exact Mass366.16
IUPAC Name2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
SMILESC=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl
InChIInChI=1S/C15H26N4O2.2ClH/c1-2-6-17-14(20)12-18-8-10-19(11-9-18)15(21)13-5-3-4-7-16-13;;/h2,13,16H,1,3-12H2,(H,17,20);2*1H/t13-;;/m1../s1
InChIKeyNWFSULXGHLXPHM-FFXKMJQXSA-N
XLogP0.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride (CID 119837819) is 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
The InChIKey is NWFSULXGHLXPHM-FFXKMJQXSA-N. The full InChI is InChI=1S/C15H26N4O2.2ClH/c1-2-6-17-14(20)12-18-8-10-19(11-9-18)15(21)13-5-3-4-7-16-13;;/h2,13,16H,1,3-12H2,(H,17,20);2*1H/t13-;;/m1../s1.
What are the key properties of 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride?
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride has a molecular weight of 367.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride is sourced from PubChem (CID 119837819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).