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

C19H27N3O3 — CID 26399423

IUPAC(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)[C@H]1CCC(=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/t16-/m0/s1
InChIKeyNFTMNHOPENJQNA-INIZCTEOSA-N
MW345.44 g/mol
LogP0.89
Rot. Bonds8

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

(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 26399423) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID26399423
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)[C@H]1CCC(=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/t16-/m0/s1
InChIKeyNFTMNHOPENJQNA-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 26399423) is (3S)-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 (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-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)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is NFTMNHOPENJQNA-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
(3S)-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 (3S)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 26399423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).