(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide

C16H31N3O2 — CID 95309166

IUPAC(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-6-7-17-15(21)13(2)19-10-8-18(9-11-19)12-14(20)16(3,4)5/h6,13-14,20H,1,7-12H2,2-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyVGIRSGIRECKBAV-KGLIPLIRSA-N
MW297.44 g/mol
LogP0.70
Rot. Bonds6

About (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide

(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 95309166) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID95309166
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-6-7-17-15(21)13(2)19-10-8-18(9-11-19)12-14(20)16(3,4)5/h6,13-14,20H,1,7-12H2,2-5H3,(H,17,21)/t13-,14+/m1/s1
InChIKeyVGIRSGIRECKBAV-KGLIPLIRSA-N
XLogP0.70
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.70
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

(2S)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309181
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95610851
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide (CID 95309166) is (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)N1CCN(C[C@H](O)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is VGIRSGIRECKBAV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-6-7-17-15(21)13(2)19-10-8-18(9-11-19)12-14(20)16(3,4)5/h6,13-14,20H,1,7-12H2,2-5H3,(H,17,21)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide?
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 95309166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).