4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide

C14H27N3O2 — CID 103912868

IUPAC4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESC=CCCOCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-15-13-6-9-17(10-7-13)14(18)16(2)3/h4,13,15H,1,5-12H2,2-3H3
InChIKeyLZWPQZCXZHVXTE-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.31
Rot. Bonds7

About 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide

4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 103912868) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID103912868
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESC=CCCOCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-15-13-6-9-17(10-7-13)14(18)16(2)3/h4,13,15H,1,5-12H2,2-3H3
InChIKeyLZWPQZCXZHVXTE-UHFFFAOYSA-N
XLogP1.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-Dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
CID 143176486
2,6-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)morpholine-4-carboxamide
CID 60267110
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
N-(1-aminopentan-3-yl)morpholine-4-carboxamide
CID 79156023
4-(2-ethoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201988
4-(1-ethoxypropan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202572
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
(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99857658

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide (CID 103912868) is 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide is C=CCCOCCNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is LZWPQZCXZHVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-15-13-6-9-17(10-7-13)14(18)16(2)3/h4,13,15H,1,5-12H2,2-3H3.
What are the key properties of 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide?
4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 103912868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).