(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

C16H25N3O2 — CID 42189034

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-5-9-18(10-6-2)16(21)14-7-8-15(20)19(13-14)12-11-17(3)4/h1,6,14H,2,7-13H2,3-4H3/t14-/m1/s1
InChIKeyJCMYBYVPTURBQK-CQSZACIVSA-N
MW291.39 g/mol
LogP0.43
Rot. Bonds7

About (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 42189034) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID42189034
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-5-9-18(10-6-2)16(21)14-7-8-15(20)19(13-14)12-11-17(3)4/h1,6,14H,2,7-13H2,3-4H3/t14-/m1/s1
InChIKeyJCMYBYVPTURBQK-CQSZACIVSA-N
XLogP0.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.43
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 (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 42189034) is (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCN(C)C)C1.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is JCMYBYVPTURBQK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-9-18(10-6-2)16(21)14-7-8-15(20)19(13-14)12-11-17(3)4/h1,6,14H,2,7-13H2,3-4H3/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
(3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-6-oxo-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 42189034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).