6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

C19H27N3O3 — CID 45248332

IUPAC6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-3-10-21(11-4-2)19(25)16-8-9-18(24)22(15-16)14-6-13-20-12-5-7-17(20)23/h1,4,16H,2,5-15H2
InChIKeyNFTMNHOPENJQNA-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.89
Rot. Bonds8

About 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 45248332) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID45248332
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C19H27N3O3/c1-3-10-21(11-4-2)19(25)16-8-9-18(24)22(15-16)14-6-13-20-12-5-7-17(20)23/h1,4,16H,2,5-15H2
InChIKeyNFTMNHOPENJQNA-UHFFFAOYSA-N
XLogP0.89
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-1-[2-(dimethylamino)ethyl]-6-oxo-N-2-propyn-1-yl-3-piperidinecarboxamide
CID 45173141
N-allyl-1-(cyclohexylmethyl)-6-oxo-N-2-propyn-1-yl-3-piperidinecarboxamide
CID 45233000
1-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 154950970
1-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 154950971
1-[(3S)-3-(3-methylidenepyrrolidine-1-carbonyl)piperidin-1-yl]but-3-en-1-one
CID 178063236
(3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315343
(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315344
(3R)-1-(cyclohexylmethyl)-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 26333124
(3S)-1-(cyclohexylmethyl)-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 26333127
(3R)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 26399421
(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 26399423
(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 42189034

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 45248332) is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(CC=C)C(=O)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is NFTMNHOPENJQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-10-21(11-4-2)19(25)16-8-9-18(24)22(15-16)14-6-13-20-12-5-7-17(20)23/h1,4,16H,2,5-15H2.
What are the key properties of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 45248332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).