prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate

C17H22N2O4 — CID 108564007

IUPACprop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C17H22N2O4/c1-3-11-23-17(21)18-14-7-9-19(10-8-14)16(20)13-5-4-6-15(12-13)22-2/h3-6,12,14H,1,7-11H2,2H3,(H,18,21)
InChIKeySYJZAMSKKMTBJC-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.21
Rot. Bonds5

About prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate

prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate (PubChem CID 108564007) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
PubChem CID108564007
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameprop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C17H22N2O4/c1-3-11-23-17(21)18-14-7-9-19(10-8-14)16(20)13-5-4-6-15(12-13)22-2/h3-6,12,14H,1,7-11H2,2H3,(H,18,21)
InChIKeySYJZAMSKKMTBJC-UHFFFAOYSA-N
XLogP2.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564006
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
prop-2-enyl N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]carbamate
CID 108564579
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
(4-methylpiperidin-1-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993266
prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
CID 108559049
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate (CID 108564007) is prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate?
The InChIKey is SYJZAMSKKMTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-11-23-17(21)18-14-7-9-19(10-8-14)16(20)13-5-4-6-15(12-13)22-2/h3-6,12,14H,1,7-11H2,2H3,(H,18,21).
What are the key properties of prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate?
prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108564007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).