(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one

C20H26N2O2 — CID 124732448

IUPAC(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@]12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23)/t16-,17+,20+/m0/s1
InChIKeyJNXHARBGPZIUIW-SQGPQFPESA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds2

About (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one

(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one (PubChem CID 124732448) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
PubChem CID124732448
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
SMILESCC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@]12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23)/t16-,17+,20+/m0/s1
InChIKeyJNXHARBGPZIUIW-SQGPQFPESA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one?
The IUPAC name of (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one (CID 124732448) is (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one?
The canonical SMILES for (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one is CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@]12CCCc1ccccc12.
What is the InChIKey of (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one?
The InChIKey is JNXHARBGPZIUIW-SQGPQFPESA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23)/t16-,17+,20+/m0/s1.
What are the key properties of (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one?
(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one is sourced from PubChem (CID 124732448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).