(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one

C23H33N3O — CID 97122546

IUPAC(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@H](c2ccccc2)CC2(CCN(C3CCNCC3)CC2)CN1C1CC1
InChIInChI=1S/C23H33N3O/c27-22-21(18-4-2-1-3-5-18)16-23(17-26(22)20-6-7-20)10-14-25(15-11-23)19-8-12-24-13-9-19/h1-5,19-21,24H,6-17H2/t21-/m0/s1
InChIKeyQUGMUQRSGLUOTI-NRFANRHFSA-N
MW367.54 g/mol
LogP3.00
Rot. Bonds3

About (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one

(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97122546) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97122546
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1[C@H](c2ccccc2)CC2(CCN(C3CCNCC3)CC2)CN1C1CC1
InChIInChI=1S/C23H33N3O/c27-22-21(18-4-2-1-3-5-18)16-23(17-26(22)20-6-7-20)10-14-25(15-11-23)19-8-12-24-13-9-19/h1-5,19-21,24H,6-17H2/t21-/m0/s1
InChIKeyQUGMUQRSGLUOTI-NRFANRHFSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138426
9-(cyclobutanecarbonyl)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935461
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
ethyl 2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72893524
(4R)-2-cyclopropyl-4-phenyl-9-(1H-pyrrole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97205163
(4R)-2-cyclopropyl-9-(4-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97452334
2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72936317
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72839202
6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456289
6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456290
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 97122546) is (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one is O=C1[C@H](c2ccccc2)CC2(CCN(C3CCNCC3)CC2)CN1C1CC1.
What is the InChIKey of (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QUGMUQRSGLUOTI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33N3O/c27-22-21(18-4-2-1-3-5-18)16-23(17-26(22)20-6-7-20)10-14-25(15-11-23)19-8-12-24-13-9-19/h1-5,19-21,24H,6-17H2/t21-/m0/s1.
What are the key properties of (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one?
(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.54 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97122546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).