N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C21H28N4O2 — CID 126466910

IUPACN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccn[nH]3)CC2)[C@H]1OC
InChIInChI=1S/C21H28N4O2/c1-3-18(26)23-19-16-6-4-5-7-17(16)21(20(19)27-2)9-12-25(13-10-21)14-15-8-11-22-24-15/h4-8,11,19-20H,3,9-10,12-14H2,1-2H3,(H,22,24)(H,23,26)/t19-,20+/m1/s1
InChIKeyHJNORZHVTDCJJP-UXHICEINSA-N
MW368.48 g/mol
LogP2.54
Rot. Bonds5

About N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 126466910) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID126466910
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccn[nH]3)CC2)[C@H]1OC
InChIInChI=1S/C21H28N4O2/c1-3-18(26)23-19-16-6-4-5-7-17(16)21(20(19)27-2)9-12-25(13-10-21)14-15-8-11-22-24-15/h4-8,11,19-20H,3,9-10,12-14H2,1-2H3,(H,22,24)(H,23,26)/t19-,20+/m1/s1
InChIKeyHJNORZHVTDCJJP-UXHICEINSA-N
XLogP2.54
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 126466910) is N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccn[nH]3)CC2)[C@H]1OC.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is HJNORZHVTDCJJP-UXHICEINSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-18(26)23-19-16-6-4-5-7-17(16)21(20(19)27-2)9-12-25(13-10-21)14-15-8-11-22-24-15/h4-8,11,19-20H,3,9-10,12-14H2,1-2H3,(H,22,24)(H,23,26)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 126466910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).