(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane

C22H32N2 — CID 97190011

IUPAC(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESc1ccc([C@H]2CN(C3CC3)CC3(CCN(CC4CC4)CC3)C2)cc1
InChIInChI=1S/C22H32N2/c1-2-4-19(5-3-1)20-14-22(17-24(16-20)21-8-9-21)10-12-23(13-11-22)15-18-6-7-18/h1-5,18,20-21H,6-17H2/t20-/m1/s1
InChIKeyZBHBCFNRXNZTCU-HXUWFJFHSA-N
MW324.51 g/mol
LogP4.13
Rot. Bonds4

About (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane

(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 97190011) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID97190011
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESc1ccc([C@H]2CN(C3CC3)CC3(CCN(CC4CC4)CC3)C2)cc1
InChIInChI=1S/C22H32N2/c1-2-4-19(5-3-1)20-14-22(17-24(16-20)21-8-9-21)10-12-23(13-11-22)15-18-6-7-18/h1-5,18,20-21H,6-17H2/t20-/m1/s1
InChIKeyZBHBCFNRXNZTCU-HXUWFJFHSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
4-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-6-methylpyrimidin-2-amine
CID 97202620
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
(4R)-2-ethyl-4-phenyl-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 97444913

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 97190011) is (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane is c1ccc([C@H]2CN(C3CC3)CC3(CCN(CC4CC4)CC3)C2)cc1.
What is the InChIKey of (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is ZBHBCFNRXNZTCU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-4-19(5-3-1)20-14-22(17-24(16-20)21-8-9-21)10-12-23(13-11-22)15-18-6-7-18/h1-5,18,20-21H,6-17H2/t20-/m1/s1.
What are the key properties of (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane?
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 324.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97190011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).