N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H32N6O — CID 23651713

IUPACN,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H32N6O/c1-27(2)23(31)30-18-24(20-5-3-4-6-21(20)30)9-15-28(16-10-24)19-7-13-29(14-8-19)22-17-25-11-12-26-22/h3-6,11-12,17,19H,7-10,13-16,18H2,1-2H3
InChIKeyOVJHSTWLXOASAH-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.98
Rot. Bonds2

About N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23651713) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID23651713
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H32N6O/c1-27(2)23(31)30-18-24(20-5-3-4-6-21(20)30)9-15-28(16-10-24)19-7-13-29(14-8-19)22-17-25-11-12-26-22/h3-6,11-12,17,19H,7-10,13-16,18H2,1-2H3
InChIKeyOVJHSTWLXOASAH-UHFFFAOYSA-N
XLogP2.98
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23651713) is N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(c4cnccn4)CC3)CC2)c2ccccc21.
What is the InChIKey of N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is OVJHSTWLXOASAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-27(2)23(31)30-18-24(20-5-3-4-6-21(20)30)9-15-28(16-10-24)19-7-13-29(14-8-19)22-17-25-11-12-26-22/h3-6,11-12,17,19H,7-10,13-16,18H2,1-2H3.
What are the key properties of N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23651713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).