N-(2-but-3-enoxyethyl)piperidine-1-carboxamide

C12H22N2O2 — CID 103853137

IUPACN-(2-but-3-enoxyethyl)piperidine-1-carboxamide
SMILESC=CCCOCCNC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-10-16-11-7-13-12(15)14-8-5-4-6-9-14/h2H,1,3-11H2,(H,13,15)
InChIKeyDDSFCUFIYXQAQG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.77
Rot. Bonds6

About N-(2-but-3-enoxyethyl)piperidine-1-carboxamide

N-(2-but-3-enoxyethyl)piperidine-1-carboxamide (PubChem CID 103853137) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)piperidine-1-carboxamide
PubChem CID103853137
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-but-3-enoxyethyl)piperidine-1-carboxamide
SMILESC=CCCOCCNC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-2-3-10-16-11-7-13-12(15)14-8-5-4-6-9-14/h2H,1,3-11H2,(H,13,15)
InChIKeyDDSFCUFIYXQAQG-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(Morpholin-4-ylmethyl)-3-prop-2-enylurea
CID 249769
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]morpholine-4-carboxamide
CID 9865853
N-allylmorpholine-4-carboxamide
CID 50901837
N-icosa-5,8,11,14-tetraenylmorpholine-4-carboxamide
CID 54294603
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
N-(5-aminopentyl)morpholine-4-carboxamide
CID 79155584
N-[2-(2-aminoethoxy)ethyl]piperidine-1-carboxamide
CID 79155910
1-(2-But-3-enoxyethyl)-3-butylurea
CID 103852770
1-(2-But-3-enoxyethyl)-3-propylurea
CID 103852778
N-(2-but-3-enoxyethyl)pyrrolidine-1-carboxamide
CID 103853127
1-(2-But-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
N-(2-but-3-enoxyethyl)morpholine-4-carboxamide
CID 103853131

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)piperidine-1-carboxamide (CID 103853137) is N-(2-but-3-enoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)piperidine-1-carboxamide is C=CCCOCCNC(=O)N1CCCCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)piperidine-1-carboxamide?
The InChIKey is DDSFCUFIYXQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-10-16-11-7-13-12(15)14-8-5-4-6-9-14/h2H,1,3-11H2,(H,13,15).
What are the key properties of N-(2-but-3-enoxyethyl)piperidine-1-carboxamide?
N-(2-but-3-enoxyethyl)piperidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 103853137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).