(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

C23H32N4 — CID 97208828

IUPAC(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCc1[nH]cnc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C23H32N4/c1-18-22(25-17-24-18)15-26-11-9-23(10-12-26)13-20(19-5-3-2-4-6-19)14-27(16-23)21-7-8-21/h2-6,17,20-21H,7-16H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySUMWUYJVFDSNJH-FQEVSTJZSA-N
MW364.54 g/mol
LogP3.95
Rot. Bonds4

About (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane

(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 97208828) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID97208828
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCc1[nH]cnc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C23H32N4/c1-18-22(25-17-24-18)15-26-11-9-23(10-12-26)13-20(19-5-3-2-4-6-19)14-27(16-23)21-7-8-21/h2-6,17,20-21H,7-16H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeySUMWUYJVFDSNJH-FQEVSTJZSA-N
XLogP3.95
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 97208828) is (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane is Cc1[nH]cnc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2.
What is the InChIKey of (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is SUMWUYJVFDSNJH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N4/c1-18-22(25-17-24-18)15-26-11-9-23(10-12-26)13-20(19-5-3-2-4-6-19)14-27(16-23)21-7-8-21/h2-6,17,20-21H,7-16H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane?
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 364.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97208828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).