2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane

C19H29N3 — CID 126432847

IUPAC2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane
SMILESc1ccc(N2CC[C@H](N3CCCC4(CCNCC4)C3)C2)cc1
InChIInChI=1S/C19H29N3/c1-2-5-17(6-3-1)21-14-7-18(15-21)22-13-4-8-19(16-22)9-11-20-12-10-19/h1-3,5-6,18,20H,4,7-16H2/t18-/m0/s1
InChIKeyDMNMQCLATUTFSL-SFHVURJKSA-N
MW299.46 g/mol
LogP2.73
Rot. Bonds2

About 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane

2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane (PubChem CID 126432847) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane
PubChem CID126432847
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane
SMILESc1ccc(N2CC[C@H](N3CCCC4(CCNCC4)C3)C2)cc1
InChIInChI=1S/C19H29N3/c1-2-5-17(6-3-1)21-14-7-18(15-21)22-13-4-8-19(16-22)9-11-20-12-10-19/h1-3,5-6,18,20H,4,7-16H2/t18-/m0/s1
InChIKeyDMNMQCLATUTFSL-SFHVURJKSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 162625354
1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4-diazepane
CID 125041821
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 141032267
5-piperidin-4-yl-5-azaspiro[2.5]octane;dihydrochloride
CID 156735083
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
CID 131936440
(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154914596
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
CID 97130641
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane (CID 126432847) is 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane is c1ccc(N2CC[C@H](N3CCCC4(CCNCC4)C3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane?
The InChIKey is DMNMQCLATUTFSL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-5-17(6-3-1)21-14-7-18(15-21)22-13-4-8-19(16-22)9-11-20-12-10-19/h1-3,5-6,18,20H,4,7-16H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane?
2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane has a molecular weight of 299.46 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 126432847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).