(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N4O — CID 97121651

IUPAC(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24)/t19-/m0/s1
InChIKeyWSPMEYDLRBQVAT-IBGZPJMESA-N
MW364.49 g/mol
LogP3.17
Rot. Bonds4

About (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97121651) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97121651
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24)/t19-/m0/s1
InChIKeyWSPMEYDLRBQVAT-IBGZPJMESA-N
XLogP3.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97121651) is (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is O=C1[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1.
What is the InChIKey of (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WSPMEYDLRBQVAT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97121651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).