(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide

C14H23N3O2 — CID 97204266

IUPAC(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESC=CCCO[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18)/t12-/m0/s1
InChIKeyPSRWNCJESPJBKR-LBPRGKRZSA-N
MW265.36 g/mol
LogP1.07
Rot. Bonds6

About (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide

(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide (PubChem CID 97204266) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
PubChem CID97204266
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
SMILESC=CCCO[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18)/t12-/m0/s1
InChIKeyPSRWNCJESPJBKR-LBPRGKRZSA-N
XLogP1.07
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 75405583
1-(2-but-3-enoxypropanoylamino)cycloheptane-1-carboxylic acid
CID 120538661
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
2-[amino-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-dimethylpentanamide;dihydrochloride
CID 69417766
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 113251046
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
3-butylsulfanyl-N-(4-cyano-1-methylpiperidin-4-yl)propanamide
CID 71874736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide (CID 97204266) is (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide is C=CCCO[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
The InChIKey is PSRWNCJESPJBKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-10-19-12(2)13(18)16-14(11-15)6-8-17(3)9-7-14/h4,12H,1,5-10H2,2-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide?
(2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enoxy-N-(4-cyano-1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 97204266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).