(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C24H31N3O — CID 97192769

IUPAC(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C3CC3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-25-17-20(19-6-3-2-4-7-19)16-24(18-25)11-14-26(15-12-24)23(28)22-8-5-13-27(22)21-9-10-21/h2-8,13,20-21H,9-12,14-18H2,1H3/t20-/m1/s1
InChIKeyOUEVLYLBDWQRTE-HXUWFJFHSA-N
MW377.53 g/mol
LogP4.16
Rot. Bonds3

About (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone

(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97192769) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97192769
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C3CC3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-25-17-20(19-6-3-2-4-7-19)16-24(18-25)11-14-26(15-12-24)23(28)22-8-5-13-27(22)21-9-10-21/h2-8,13,20-21H,9-12,14-18H2,1H3/t20-/m1/s1
InChIKeyOUEVLYLBDWQRTE-HXUWFJFHSA-N
XLogP4.16
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
2-(N-methylanilino)-1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97444814
(1-methylbenzimidazol-5-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97438456
(1-ethyl-5-methylpyrazol-4-yl)-[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97199126
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72904104
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97192769) is (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone is CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccn3C3CC3)CC2)C1.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is OUEVLYLBDWQRTE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-17-20(19-6-3-2-4-7-19)16-24(18-25)11-14-26(15-12-24)23(28)22-8-5-13-27(22)21-9-10-21/h2-8,13,20-21H,9-12,14-18H2,1H3/t20-/m1/s1.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 377.53 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97192769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).