4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide

C12H23N3O2 — CID 113349207

IUPAC4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide
SMILESC=CCCOCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-2-3-9-17-10-6-14-11-4-7-15(8-5-11)12(13)16/h2,11,14H,1,3-10H2,(H2,13,16)
InChIKeyIOVBPCZGPKDLTI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.71
Rot. Bonds7

About 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide

4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide (PubChem CID 113349207) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide
PubChem CID113349207
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide
SMILESC=CCCOCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H23N3O2/c1-2-3-9-17-10-6-14-11-4-7-15(8-5-11)12(13)16/h2,11,14H,1,3-10H2,(H2,13,16)
InChIKeyIOVBPCZGPKDLTI-UHFFFAOYSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-Dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
CID 143176486
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
1-Methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
CID 91649762
1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856554
1-methyl-3-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856555
1-methyl-3-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856556
1-methyl-3-[(1R)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856557
1-(2-But-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
N-(2-but-3-enoxyethyl)morpholine-4-carboxamide
CID 103853131
N-(2-but-3-enoxyethyl)piperidine-1-carboxamide
CID 103853137
1-[4-(2-But-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
Ethyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
CID 103854566

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide (CID 113349207) is 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide is C=CCCOCCNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide?
The InChIKey is IOVBPCZGPKDLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-9-17-10-6-14-11-4-7-15(8-5-11)12(13)16/h2,11,14H,1,3-10H2,(H2,13,16).
What are the key properties of 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide?
4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 113349207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).