(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide

C12H23N3O — CID 119879124

IUPAC(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
SMILESC=CCN1CCC(NC(=O)[C@@H](N)CC)CC1
InChIInChI=1S/C12H23N3O/c1-3-7-15-8-5-10(6-9-15)14-12(16)11(13)4-2/h3,10-11H,1,4-9,13H2,2H3,(H,14,16)/t11-/m0/s1
InChIKeySRXSQEVJCDVTIH-NSHDSACASA-N
MW225.34 g/mol
LogP0.49
Rot. Bonds5

About (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide

(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide (PubChem CID 119879124) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
PubChem CID119879124
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
SMILESC=CCN1CCC(NC(=O)[C@@H](N)CC)CC1
InChIInChI=1S/C12H23N3O/c1-3-7-15-8-5-10(6-9-15)14-12(16)11(13)4-2/h3,10-11H,1,4-9,13H2,2H3,(H,14,16)/t11-/m0/s1
InChIKeySRXSQEVJCDVTIH-NSHDSACASA-N
XLogP0.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
CID 120800093
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]butanamide
CID 43711887
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128373
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide
CID 95759967
2-amino-N-(thian-4-yl)butanamide
CID 115734007

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide (CID 119879124) is (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide is C=CCN1CCC(NC(=O)[C@@H](N)CC)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide?
The InChIKey is SRXSQEVJCDVTIH-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-7-15-8-5-10(6-9-15)14-12(16)11(13)4-2/h3,10-11H,1,4-9,13H2,2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide?
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide has a molecular weight of 225.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide is sourced from PubChem (CID 119879124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).