1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide

C22H31N3O3 — CID 70771175

IUPAC1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)C2CCN(C(C)=O)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H31N3O3/c1-15(26)25-13-7-16(8-14-25)21(27)24-19-17-5-3-4-6-18(17)22(20(19)28-2)9-11-23-12-10-22/h3-6,16,19-20,23H,7-14H2,1-2H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyAETADCFLKWLLIQ-UXHICEINSA-N
MW385.51 g/mol
LogP1.75
Rot. Bonds3

About 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide

1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide (PubChem CID 70771175) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide
PubChem CID70771175
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)C2CCN(C(C)=O)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H31N3O3/c1-15(26)25-13-7-16(8-14-25)21(27)24-19-17-5-3-4-6-18(17)22(20(19)28-2)9-11-23-12-10-22/h3-6,16,19-20,23H,7-14H2,1-2H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyAETADCFLKWLLIQ-UXHICEINSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide (CID 70771175) is 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide is CO[C@H]1[C@H](NC(=O)C2CCN(C(C)=O)CC2)c2ccccc2C12CCNCC2.
What is the InChIKey of 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide?
The InChIKey is AETADCFLKWLLIQ-UXHICEINSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(26)25-13-7-16(8-14-25)21(27)24-19-17-5-3-4-6-18(17)22(20(19)28-2)9-11-23-12-10-22/h3-6,16,19-20,23H,7-14H2,1-2H3,(H,24,27)/t19-,20+/m1/s1.
What are the key properties of 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide?
1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 70771175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).