1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide

C11H17N3O2 — CID 78913114

IUPAC1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
SMILESC#CCNC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H17N3O2/c1-2-5-13-10(15)8-14-6-3-4-9(7-14)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)
InChIKeyVTLJCOPFQQOMJQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.07
Rot. Bonds4

About 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide

1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide (PubChem CID 78913114) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
PubChem CID78913114
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
SMILESC#CCNC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C11H17N3O2/c1-2-5-13-10(15)8-14-6-3-4-9(7-14)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15)
InChIKeyVTLJCOPFQQOMJQ-UHFFFAOYSA-N
XLogP-1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 43509608
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 31313709
2-(4-tert-butylazepan-1-yl)-N-prop-2-ynylacetamide
CID 78967379
1-(2-methylbut-2-enyl)piperidine-3-carboxamide
CID 2845933
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142
(3S)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9305169
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 30958664
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide (CID 78913114) is 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide is C#CCNC(=O)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is VTLJCOPFQQOMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-13-10(15)8-14-6-3-4-9(7-14)11(12)16/h1,9H,3-8H2,(H2,12,16)(H,13,15).
What are the key properties of 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide?
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 78913114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).