(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C19H24N2O — CID 59901206

IUPAC(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESC#CCN(C)C(=O)[C@@H]1CC2(CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O/c1-4-11-21(3)18(22)16-14-19(9-12-20(2)13-10-19)17-8-6-5-7-15(16)17/h1,5-8,16H,9-14H2,2-3H3/t16-/m1/s1
InChIKeyBIVYESLGKXGMDB-MRXNPFEDSA-N
MW296.41 g/mol
LogP2.23
Rot. Bonds2

About (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 59901206) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID59901206
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESC#CCN(C)C(=O)[C@@H]1CC2(CCN(C)CC2)c2ccccc21
InChIInChI=1S/C19H24N2O/c1-4-11-21(3)18(22)16-14-19(9-12-20(2)13-10-19)17-8-6-5-7-15(16)17/h1,5-8,16H,9-14H2,2-3H3/t16-/m1/s1
InChIKeyBIVYESLGKXGMDB-MRXNPFEDSA-N
XLogP2.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 59901206) is (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is C#CCN(C)C(=O)[C@@H]1CC2(CCN(C)CC2)c2ccccc21.
What is the InChIKey of (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is BIVYESLGKXGMDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-11-21(3)18(22)16-14-19(9-12-20(2)13-10-19)17-8-6-5-7-15(16)17/h1,5-8,16H,9-14H2,2-3H3/t16-/m1/s1.
What are the key properties of (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
(1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,1'-dimethyl-N-prop-2-ynylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59901206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).