3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide

C16H29N3O3 — CID 120578735

IUPAC3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide
SMILESC=CCCOC(C)C(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C16H29N3O3/c1-3-4-11-22-13(2)16(21)19-10-6-5-7-14(19)12-18-15(20)8-9-17/h3,13-14H,1,4-12,17H2,2H3,(H,18,20)
InChIKeyRPVKIYJIYNAILC-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.81
Rot. Bonds9

About 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120578735) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID120578735
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide
SMILESC=CCCOC(C)C(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C16H29N3O3/c1-3-4-11-22-13(2)16(21)19-10-6-5-7-14(19)12-18-15(20)8-9-17/h3,13-14H,1,4-12,17H2,2H3,(H,18,20)
InChIKeyRPVKIYJIYNAILC-UHFFFAOYSA-N
XLogP0.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
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

3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
3-amino-N-[[1-(2-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579611
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide (CID 120578735) is 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide is C=CCCOC(C)C(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is RPVKIYJIYNAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-4-11-22-13(2)16(21)19-10-6-5-7-14(19)12-18-15(20)8-9-17/h3,13-14H,1,4-12,17H2,2H3,(H,18,20).
What are the key properties of 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-but-3-enoxypropanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).