3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione

C17H21ClN2O2 — CID 67996369

IUPAC3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)NC1=O
InChIInChI=1S/C17H21ClN2O2/c1-12(13-2-4-14(18)5-3-13)20-11-10-17(19-16(20)22)8-6-15(21)7-9-17/h2-5,12H,6-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyCOHOEKTUCWRLFC-LBPRGKRZSA-N
MW320.82 g/mol
LogP3.70
Rot. Bonds2

About 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione (PubChem CID 67996369) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione
PubChem CID67996369
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)NC1=O
InChIInChI=1S/C17H21ClN2O2/c1-12(13-2-4-14(18)5-3-13)20-11-10-17(19-16(20)22)8-6-15(21)7-9-17/h2-5,12H,6-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyCOHOEKTUCWRLFC-LBPRGKRZSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 68781220
1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-prop-2-enylpiperidin-2-one
CID 67104529
3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane
CID 150555367
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975167
3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxy-3-methylbutyl)-1,3-oxazinan-2-one
CID 66856705
3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one
CID 58109540
3-[(1S)-1-(4-chlorophenyl)ethyl]-12,12-dimethyl-5,10,14-trioxa-3-azadispiro[5.2.59.26]hexadecan-4-one
CID 70498015
1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112597865
1-[1-(4-chlorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64965449
3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 56595801
4-[1-(2,9-dioxo-1-oxa-3-azaspiro[5.5]undecan-3-yl)ethyl]benzonitrile
CID 77394126
(6R)-3-[(1S)-1-(4-chlorophenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 58109366

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione (CID 67996369) is 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione is C[C@@H](c1ccc(Cl)cc1)N1CCC2(CCC(=O)CC2)NC1=O.
What is the InChIKey of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione?
The InChIKey is COHOEKTUCWRLFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12(13-2-4-14(18)5-3-13)20-11-10-17(19-16(20)22)8-6-15(21)7-9-17/h2-5,12H,6-11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione has a molecular weight of 320.82 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).